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MTBLS148:  Impact of collection conditions on the metabolite content of human urine samples as analyzed by liquid chromatography coupled to mass spectrometry and nuclear magnetic resonance spectroscopy (LC-MS assay)

 Authors: Christophe Junot , Etienne Thevenot

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  Submitted: 18-Dec-2014 , Release date: 18-Dec-2014 , Update date: 29-Nov-2016

 Submitted by:  Etienne Thevenot  |   Study status: Public

Study Description

There is a lack of comprehensive studies documenting the impact of sample collection conditions on metabolic composition of human urine. To address this issue, two experiments were performed at a three-month interval, in which midstream urine samples from healthy individuals were collected, pooled, divided into several aliquots and kept under specific conditions (room temperature, 4 °C, with or without preservative) up to 72 h before storage at -80 °C. Samples were analyzed by high-performance liquid chromatography coupled to high-resolution mass spectrometry and bacterial contamination was monitored by turbidimetry. Multivariate analyses showed that urinary metabolic fingerprints were affected by the presence of preservatives and also by storage at room temperature from 24 to 72 hours, whereas no change was observed for urine samples stored at 4 °C over a 72-hour period. Investigations were then focused on 280 metabolites previously identified in urine: 19 of them were impacted by the kind of sample collection protocol in both experiments, including 12 metabolites affected by bacterial contamination and 7 exhibiting poor chemical stability. Finally, our results emphasize that the use of preservative prevents bacterial overgrowth, but does not avoid metabolite instability in solution, whereas storage at 4 °C inhibits bacterial overgrowth at least over a 72-hour period and slows the chemical degradation process. Consequently, and for further LC/MS analyses, human urine samples should be maintained at 4 °C if their collection is performed over 24 hours.

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  Organism(s)

Homo sapiens

  Study Design Description

untargeted metabolites

EFO:urine

CHMO:ultra-performance liquid chromatography-mass spectrometry

  Experimental Factors

Experiment

Preservative

Timepoint

Temperature

Polarity

Sample type

Injection order

Protocol Description
Sample collection Urine samples were anonymously collected from laboratory staff. Only the gender of the donor was recorded. Samples were collected on the day of the experiment between 9:30 and 10:30 a.m. (T0 = 10:30 a.m.). Two experiments were conducted with different donors over a period of 3 months, always using the same protocol. Once urine samples were pooled (to eliminate inter-individual variations), several aliquots were prepared and subjected to different collection conditions (with or without preservatives) and were stored either at room temperature (on the laboratory bench, with recorded temperatures ranging from 19 to 26 °C) or at 4 °C. Samples were collected at regular time intervals (every 4 or 12 h) between 0 and 72 h and kept at -80 °C until analysis.
Extraction Samples for UHPLC/HRMS analysis were centrifuged (3,000 rpm for 5 min) and then diluted in deionized water (dilution 1/5: 20 µl of urine in 80 µl of water) prior to analysis.
Chromatography Analyses were performed on an Accela liquid chromatographic system (Thermo Fisher Scientific). The UHPLC chromatographic separation was performed on a Hypersil GOLD C18 1.9 µm, 2.1 mm x 150 mm column (Thermo Fisher Scientific) equipped with an online prefilter (Interchim, Montluçon, France). The mobile phases were (A) 100% water and (B) 100% acetonitrile with 0.1% formic acid. After an isocratic step of 2 min at 100% phase A, a linear gradient from 0% to 100% B was run over the next 11 min with a mobile phase flow of 500 µl/min. After returning to 100% A at 15.5 min, the column was then allowed to equilibrate for 3.5 min, leading to a total run time of 19 min.
Mass spectrometry The LTQ-Orbitrap Discovery (Thermo Fisher Scientific) was fitted with an electrospray source operated in the positive- and negative-ion modes. The software interface was Xcalibur (version 2.1) (Thermo Fisher Scientific). The mass spectrometer was calibrated before each analysis using a calibration solution provided by the manufacturer (external calibration). Mass spectra were recorded from 75 Th to 1,000 Th with an AGC value of 5x10^5. The mass resolution of the analyzer was set to 30,000 (m/Δm, fwhm at 400 Th). The mass spectra were acquired in the reduced profile mode. In the positive-ion mode, the electrospray voltage was set to 5 kV, the capillary voltage to 8 V, and the tube lens offset to 65 V. The sheath and auxiliary gas flows (both nitrogen) were optimized at 35 and 8 arbitrary units (au), respectively, and the drying gas temperature was set to 275 °C. In the negative-ion mode, the electrospray voltage was set to -3.5 kV, and the capillary voltage and tube lens offset were set to -20 and -70 V, respectively; the sheath and auxiliary gas flows (both nitrogen) were 45 and 15 au respectively, and the drying gas temperature was 275 °C.

Biological samples were randomly analyzed and a quality control sample (QC: urine pool) was injected every 10 samples to check the performance of the analytical system in terms of retention times, accurate mass measurements, and signal intensities.
Data transformation Data processing
Automatic peak detection and integration were performed using XCMS software package [1]. Raw files were preliminarily converted to netCDF format with Xconvert (Thermo Scientific, Les Ulis, France). Data were processed using XCMS version 1.14.1 running under R version 2.8.1. The R language was installed on a Dell Eight-core Intel Xeon 3.00 GHz Processor with 16 Go RAM running Linux (Centos 5.2 x86_64). The matchedFilter algorithm was used and default values were set for all parameters except for fwhm, step, steps, mzdiff, and mzwid, which were set respectively at 4, 0.01, 2, 0.01, and 0.01 (for both grouping steps).

Intensity drift correction
Intensities of the 4 peak lists (2 experiments x 2 ionization modes) were normalized as follows. First, for each variable, a local quadratic (loess) model representative of intensity variation along passage order was built with the values of the quality control (QC) sample [2]. Intensities were then divided by the model predictions. For the positive peak list of Exp. 2, QC values were not representative, and variable intensities were divided by their median as no obvious drift was observed. Second, peak list intensities were scaled by multiplying each of the 4 blocks by a common factor equal to the geometric mean of the block raw intensity medians. Note that this last step is only aimed at providing intensities with meaningful values (otherwise relative intensities are close to 1) and does not modify univariate statistics (since nonparametric tests are used) nor multivariate modeling (because of unit-variance scaling). Normalization resulted in a decrease from the median of the coefficient of variation (CV) of the identified variables (see below) within the QC samples in Exp. 1 (resp. Exp. 2) from 24% to 5% (resp. from 14% to 11%). The few variables that remained correlated with injection order (< 5% and 2% for Exp. 1 and Exp. 2, respectively) were discarded.

Filtering
Variables with a mean intensity in the QC samples less than 2 times the mean intensity in blank samples (i.e., phase A: water with 0.1% formic acid), or with a coefficient of variation in the QC samples > 30% were filtered out.

Statistical analysis
Univariate correlation with time storage duration was tested by using the nonparametric Spearman coefficient of rank correlation [3] and controlling the false discovery rate [4] at a 0.01 threshold. All peak intensities of the metabolites showing significant variations were confirmed by manual integration using the QuanBrowser software, in order to avoid any false-positive or false-negative deconvolution that may have been generated with XCMS.

Prior to multivariate analysis, one observation from Exp. 2 with outlier distribution quantiles [5] (p=10-3 threshold) was discarded. Intensities were log10 transformed and variables were mean-centered and unit-variance scaled, prior to principal component analysis (PCA) and partial least-squares (PLS) analysis with 2 components (with the storage duration as Y response). To assess the predictive performance of each PLS-DA model, cross-validation was used to compute the diagnostic Q2 value [6]. The statistical significance of Q2 was estimated by permutation testing [7]: the Q2 value was compared to the distribution of 103 Q2 values corresponding to models built after random permutation of the response labels.

Normalization, univariate and multivariate statistical analyzes were all performed using scripts coded and run in the R language and environment (R Core Team, 2013; version 3.0.2). Venn diagrams were drawn using the "Vennerable" package version 1.0 [8].

Ref:
[1] Smith, C. A., Want, E. J., O’Maille, G., Abagyan, R., & Siuzdak, G. (2006). XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Analytical Chemistry, 78(3), 779–787. PMID:16448051
[2] Dunn, W. B., Broadhurst, D., Begley, P., Zelena, E., Francis-McIntyre, S., Anderson, N., et al. (2011). Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nature Protocols, 6(7), 1060–1083. PMID:21720319
[3] Kvam, P., & Vidakovic, B. (2007). Nonparametric statistics with applications to science and engineering. Hoboken: John Wiley & Sons.
[4] Benjamini, Y., & Hochberg, Y. (1995). Controlling the false discovery rate: A practical and powerful approach for multiple testing. Journal of the Royal Statistical Society Series B (Methodological), 57, 289–300.
[5] Alonso, A., Julia, A., Beltran, A., Vinaixa, M., Diaz, M., Ibanez, L., et al. (2011). AStream: An R package for annotating LC/MS metabolomic data. Bioinformatics, 27(9), 1339–1340. PMID:21414990
[6] Wold, S., Sjöström, M., & Eriksson, L. (2001). PLS-regression: A basic tool of chemometrics. Chemometrics and Intelligent Laboratory Systems, 58, 109–130.
[7] Szymanska, E., Saccenti, E., Smilde, A., & Westerhuis, J. (2012). Double-check: Validation of diagnostic statistics for PLS-DA models in metabolomics studies. Metabolomics, 8, 3–16. PMID:22593721
[8] Swinton S. (2009). Venn diagrams in R with the Vennerable package.
Metabolite identification Metabolites were identified by taking into account the metabolomics standard initiative (MSI) criteria [1] and by using a spectral database developed in our laboratory [2]. UHPLC/HRMS-peaklists generated by XCMS were annotated using an in-house software tool that matches masses (within a 5 ppm range) and retention times of ions of biological datasets with those of reference compounds contained in the spectral database.

Ref:
[1] Sumner, L. W., Amberg, A., Barrett, D., Beale, M. H., Beger, R., Daykin, C. A., et al. (2007). Proposed minimum reporting standards for chemical analysis Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI). Metabolomics, 3(3), 211–221. PMID:24039616
[2] Roux, A., Xu, Y., Heilier, J. F., Olivier, M. F., Ezan, E., Tabet, J. C., & Junot, C. (2012). Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer. Analytical Chemistry, 84(15), 6429–6437. PMID:22770225
Source Name Organism Organism part Protocol REF Sample Name Sample type Injection order Polarity Experiment Temperature Preservative Timepoint Unit
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_0 blank 1 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_1 blank 2 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_2 blank 3 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_3 blank 4 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_5 blank 16 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_6 blank 28 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_7 blank 40 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_8 blank 52 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Blanc_NEG_9 blank 64 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_F0-1_NEG sample 60 negative ex1 fridge no 0 hour
urine Homo sapiens urine Sample collection 100726_F0-2_NEG sample 57 negative ex1 fridge no 0 hour
urine Homo sapiens urine Sample collection 100726_F0-3_NEG sample 22 negative ex1 fridge no 0 hour
urine Homo sapiens urine Sample collection 100726_F12-1_NEG sample 55 negative ex1 fridge no 12 hour
urine Homo sapiens urine Sample collection 100726_F12-2_NEG sample 61 negative ex1 fridge no 12 hour
urine Homo sapiens urine Sample collection 100726_F12-3_NEG sample 23 negative ex1 fridge no 12 hour
urine Homo sapiens urine Sample collection 100726_F24-1_NEG sample 43 negative ex1 fridge no 24 hour
urine Homo sapiens urine Sample collection 100726_F24-2_NEG sample 48 negative ex1 fridge no 24 hour
urine Homo sapiens urine Sample collection 100726_F24-3_NEG sample 47 negative ex1 fridge no 24 hour
urine Homo sapiens urine Sample collection 100726_F36-1_NEG sample 35 negative ex1 fridge no 36 hour
urine Homo sapiens urine Sample collection 100726_F36-2_NEG sample 26 negative ex1 fridge no 36 hour
urine Homo sapiens urine Sample collection 100726_F36-3_NEG sample 19 negative ex1 fridge no 36 hour
urine Homo sapiens urine Sample collection 100726_F48-1_NEG sample 50 negative ex1 fridge no 48 hour
urine Homo sapiens urine Sample collection 100726_F48-2_NEG sample 62 negative ex1 fridge no 48 hour
urine Homo sapiens urine Sample collection 100726_F48-3_NEG sample 63 negative ex1 fridge no 48 hour
urine Homo sapiens urine Sample collection 100726_F72-1_NEG sample 38 negative ex1 fridge no 72 hour
urine Homo sapiens urine Sample collection 100726_F72-2_NEG sample 31 negative ex1 fridge no 72 hour
urine Homo sapiens urine Sample collection 100726_F72-3_NEG sample 56 negative ex1 fridge no 72 hour
urine Homo sapiens urine Sample collection 100726_Pool_2_NEG_1 pool 9 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_2_NEG_2 pool 12 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_2_NEG_3 pool 15 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_4_NEG_1 pool 8 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_4_NEG_2 pool 11 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_4_NEG_3 pool 14 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_5_NEG_1 pool 7 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_5_NEG_2 pool 10 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_5_NEG_3 pool 13 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_EI_NEG pool 5 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_EI_NEG_1 pool 17 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_EI_NEG_2 pool 29 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_EI_NEG_3 pool 41 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_EI_NEG_4 pool 53 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_EI_NEG_5 pool 65 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_NEG pool 6 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_NEG_1 pool 18 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_NEG_2 pool 30 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_NEG_3 pool 42 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_NEG_4 pool 54 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_Pool_NEG_5 pool 66 negative ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100726_RT0-1_NEG sample 45 negative ex1 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100726_RT0-2_NEG sample 36 negative ex1 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100726_RT0-3_NEG sample 24 negative ex1 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100726_RT12-1_NEG sample 51 negative ex1 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100726_RT12-2_NEG sample 25 negative ex1 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100726_RT12-3_NEG sample 27 negative ex1 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100726_RT24-1_NEG sample 37 negative ex1 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100726_RT24-2_NEG sample 58 negative ex1 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100726_RT24-3_NEG sample 33 negative ex1 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100726_RT36-1_NEG sample 44 negative ex1 room_temperature no 36 hour
urine Homo sapiens urine Sample collection 100726_RT36-2_NEG sample 32 negative ex1 room_temperature no 36 hour
urine Homo sapiens urine Sample collection 100726_RT36-3_NEG sample 49 negative ex1 room_temperature no 36 hour
urine Homo sapiens urine Sample collection 100726_RT48-1_NEG sample 21 negative ex1 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100726_RT48-2_NEG sample 46 negative ex1 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100726_RT48-3_NEG sample 39 negative ex1 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100726_RT72-1_NEG sample 59 negative ex1 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100726_RT72-2_NEG sample 34 negative ex1 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100726_RT72-3_NEG sample 20 negative ex1 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100727_Blanc_POS_1 blank 1 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Blanc_POS_2 blank 2 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Blanc_POS_3 blank 14 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Blanc_POS_4 blank 26 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Blanc_POS_5 blank 38 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Blanc_POS_6 blank 50 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Blanc_POS_7 blank 62 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_F0-1_POS sample 47 positive ex1 fridge no 0 hour
urine Homo sapiens urine Sample collection 100727_F0-2_POS sample 55 positive ex1 fridge no 0 hour
urine Homo sapiens urine Sample collection 100727_F0-3_POS sample 37 positive ex1 fridge no 0 hour
urine Homo sapiens urine Sample collection 100727_F12-1_POS sample 23 positive ex1 fridge no 12 hour
urine Homo sapiens urine Sample collection 100727_F12-2_POS sample 56 positive ex1 fridge no 12 hour
urine Homo sapiens urine Sample collection 100727_F12-3_POS sample 46 positive ex1 fridge no 12 hour
urine Homo sapiens urine Sample collection 100727_F24-1_POS sample 42 positive ex1 fridge no 24 hour
urine Homo sapiens urine Sample collection 100727_F24-2_POS sample 29 positive ex1 fridge no 24 hour
urine Homo sapiens urine Sample collection 100727_F24-3_POS sample 31 positive ex1 fridge no 24 hour
urine Homo sapiens urine Sample collection 100727_F36-1_POS sample 22 positive ex1 fridge no 36 hour
urine Homo sapiens urine Sample collection 100727_F36-2_POS sample 17 positive ex1 fridge no 36 hour
urine Homo sapiens urine Sample collection 100727_F36-3_POS sample 32 positive ex1 fridge no 36 hour
urine Homo sapiens urine Sample collection 100727_F48-1_POS sample 48 positive ex1 fridge no 48 hour
urine Homo sapiens urine Sample collection 100727_F48-2_POS sample 24 positive ex1 fridge no 48 hour
urine Homo sapiens urine Sample collection 100727_F48-3_POS sample 25 positive ex1 fridge no 48 hour
urine Homo sapiens urine Sample collection 100727_F72-1_POS sample 19 positive ex1 fridge no 72 hour
urine Homo sapiens urine Sample collection 100727_F72-2_POS sample 58 positive ex1 fridge no 72 hour
urine Homo sapiens urine Sample collection 100727_F72-3_POS sample 44 positive ex1 fridge no 72 hour
urine Homo sapiens urine Sample collection 100727_Pool_2_POS_1 pool 7 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_2_POS_2 pool 10 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_2_POS_3 pool 13 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_4_POS_1 pool 6 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_4_POS_2 pool 9 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_4_POS_3 pool 12 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_5_POS_1 pool 5 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_5_POS_2 pool 8 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_5_POS_3 pool 11 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_EI_POS_1 pool 3 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_EI_POS_2 pool 15 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_EI_POS_3 pool 27 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_EI_POS_4 pool 39 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_EI_POS_5 pool 51 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_EI_POS_6 pool 63 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_POS_1 pool 4 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_POS_2 pool 16 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_POS_3 pool 28 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_POS_4 pool 40 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_POS_5 pool 52 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_Pool_POS_6 pool 64 positive ex1 NA NA NA hour
urine Homo sapiens urine Sample collection 100727_RT0-1_POS sample 35 positive ex1 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100727_RT0-2_POS sample 53 positive ex1 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100727_RT0-3_POS sample 34 positive ex1 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100727_RT12-1_POS sample 41 positive ex1 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100727_RT12-2_POS sample 20 positive ex1 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100727_RT12-3_POS sample 57 positive ex1 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100727_RT24-1_POS sample 59 positive ex1 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100727_RT24-2_POS sample 43 positive ex1 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100727_RT24-3_POS sample 30 positive ex1 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100727_RT36-1_POS sample 21 positive ex1 room_temperature no 36 hour
urine Homo sapiens urine Sample collection 100727_RT36-2_POS sample 61 positive ex1 room_temperature no 36 hour
urine Homo sapiens urine Sample collection 100727_RT36-3_POS sample 49 positive ex1 room_temperature no 36 hour
urine Homo sapiens urine Sample collection 100727_RT48-1_POS sample 18 positive ex1 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100727_RT48-2_POS sample 45 positive ex1 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100727_RT48-3_POS sample 54 positive ex1 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100727_RT72-1_POS sample 36 positive ex1 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100727_RT72-2_POS sample 33 positive ex1 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100727_RT72-3_POS sample 60 positive ex1 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100910_AcB-T0-1_NEG sample 72 negative ex2 room_temperature yes 0 hour
urine Homo sapiens urine Sample collection 100910_AcB-T0-2_NEG sample 18 negative ex2 room_temperature yes 0 hour
urine Homo sapiens urine Sample collection 100910_AcB-T0-3_NEG sample 46 negative ex2 room_temperature yes 0 hour
urine Homo sapiens urine Sample collection 100910_AcB-T12-1_NEG sample 70 negative ex2 room_temperature yes 12 hour
urine Homo sapiens urine Sample collection 100910_AcB-T12-2_NEG sample 54 negative ex2 room_temperature yes 12 hour
urine Homo sapiens urine Sample collection 100910_AcB-T12-3_NEG sample 16 negative ex2 room_temperature yes 12 hour
urine Homo sapiens urine Sample collection 100910_AcB-T24-1_NEG sample 47 negative ex2 room_temperature yes 24 hour
urine Homo sapiens urine Sample collection 100910_AcB-T24-2_NEG sample 21 negative ex2 room_temperature yes 24 hour
urine Homo sapiens urine Sample collection 100910_AcB-T24-3_NEG sample 32 negative ex2 room_temperature yes 24 hour
urine Homo sapiens urine Sample collection 100910_AcB-T48-1_NEG sample 65 negative ex2 room_temperature yes 48 hour
urine Homo sapiens urine Sample collection 100910_AcB-T48-2_NEG sample 34 negative ex2 room_temperature yes 48 hour
urine Homo sapiens urine Sample collection 100910_AcB-T48-3_NEG sample 35 negative ex2 room_temperature yes 48 hour
urine Homo sapiens urine Sample collection 100910_AcB-T72-1_NEG sample 36 negative ex2 room_temperature yes 72 hour
urine Homo sapiens urine Sample collection 100910_AcB-T72-2_NEG sample 40 negative ex2 room_temperature yes 72 hour
urine Homo sapiens urine Sample collection 100910_AcB-T72-3_NEG sample 41 negative ex2 room_temperature yes 72 hour
urine Homo sapiens urine Sample collection 100910_Blanc-1_NEG blank 1 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-2_NEG blank 2 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-3_NEG blank 3 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-4_NEG blank 13 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-5_NEG blank 25 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-6_NEG blank 37 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-7_NEG blank 49 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-8_NEG blank 61 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Blanc-9_NEG blank 73 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_F-T0-1_NEG sample 68 negative ex2 fridge no 0 hour
urine Homo sapiens urine Sample collection 100910_F-T0-2_NEG sample 67 negative ex2 fridge no 0 hour
urine Homo sapiens urine Sample collection 100910_F-T0-3_NEG sample 17 negative ex2 fridge no 0 hour
urine Homo sapiens urine Sample collection 100910_F-T12-1_NEG sample 71 negative ex2 fridge no 12 hour
urine Homo sapiens urine Sample collection 100910_F-T12-2_NEG sample 53 negative ex2 fridge no 12 hour
urine Homo sapiens urine Sample collection 100910_F-T12-3_NEG sample 43 negative ex2 fridge no 12 hour
urine Homo sapiens urine Sample collection 100910_F-T24-1_NEG sample 24 negative ex2 fridge no 24 hour
urine Homo sapiens urine Sample collection 100910_F-T24-2_NEG sample 56 negative ex2 fridge no 24 hour
urine Homo sapiens urine Sample collection 100910_F-T24-3_NEG sample 28 negative ex2 fridge no 24 hour
urine Homo sapiens urine Sample collection 100910_F-T48-1_NEG sample 44 negative ex2 fridge no 48 hour
urine Homo sapiens urine Sample collection 100910_F-T48-2_NEG sample 33 negative ex2 fridge no 48 hour
urine Homo sapiens urine Sample collection 100910_F-T48-3_NEG sample 29 negative ex2 fridge no 48 hour
urine Homo sapiens urine Sample collection 100910_F-T72-1_NEG sample 64 negative ex2 fridge no 72 hour
urine Homo sapiens urine Sample collection 100910_F-T72-2_NEG sample 57 negative ex2 fridge no 72 hour
urine Homo sapiens urine Sample collection 100910_F-T72-3_NEG sample 60 negative ex2 fridge no 72 hour
urine Homo sapiens urine Sample collection 100910_Pool-1_NEG pool 14 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-2-1_NEG pool 6 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-2-2_NEG pool 9 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-2-3_NEG pool 12 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-4-1_NEG pool 5 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-4-2_NEG pool 8 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-4-3_NEG pool 11 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-5-1_NEG pool 4 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-5-2_NEG pool 7 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool1-5-3_NEG pool 10 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool-2_NEG pool 26 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool-3_NEG pool 38 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool-4_NEG pool 50 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool-5_NEG pool 62 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_Pool-6_NEG pool 74 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_PoolEI-1_NEG pool 15 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_PoolEI-2_NEG pool 27 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_PoolEI-3_NEG pool 39 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_PoolEI-4_NEG pool 51 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_PoolEI-5_NEG pool 63 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_PoolEI-6_NEG pool 75 negative ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100910_RT-T0-1_NEG sample 31 negative ex2 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100910_RT-T0-2_NEG sample 69 negative ex2 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100910_RT-T0-3_NEG sample 42 negative ex2 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100910_RT-T12-1_NEG sample 58 negative ex2 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100910_RT-T12-2_NEG sample 45 negative ex2 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100910_RT-T12-3_NEG sample 48 negative ex2 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100910_RT-T24-1_NEG sample 23 negative ex2 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100910_RT-T24-2_NEG sample 55 negative ex2 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100910_RT-T24-3_NEG sample 59 negative ex2 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100910_RT-T48-1_NEG sample 19 negative ex2 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100910_RT-T48-2_NEG sample 20 negative ex2 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100910_RT-T48-3_NEG sample 52 negative ex2 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100910_RT-T72-1_NEG sample 30 negative ex2 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100910_RT-T72-2_NEG sample 66 negative ex2 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100910_RT-T72-3_NEG sample 22 negative ex2 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100911_AcB-T0-1_POS sample 45 positive ex2 room_temperature yes 0 hour
urine Homo sapiens urine Sample collection 100911_AcB-T0-2_POS sample 36 positive ex2 room_temperature yes 0 hour
urine Homo sapiens urine Sample collection 100911_AcB-T0-3_POS sample 17 positive ex2 room_temperature yes 0 hour
urine Homo sapiens urine Sample collection 100911_AcB-T12-1_POS sample 71 positive ex2 room_temperature yes 12 hour
urine Homo sapiens urine Sample collection 100911_AcB-T12-2_POS sample 40 positive ex2 room_temperature yes 12 hour
urine Homo sapiens urine Sample collection 100911_AcB-T12-3_POS sample 70 positive ex2 room_temperature yes 12 hour
urine Homo sapiens urine Sample collection 100911_AcB-T24-1_POS sample 23 positive ex2 room_temperature yes 24 hour
urine Homo sapiens urine Sample collection 100911_AcB-T24-2_POS sample 16 positive ex2 room_temperature yes 24 hour
urine Homo sapiens urine Sample collection 100911_AcB-T24-3_POS sample 19 positive ex2 room_temperature yes 24 hour
urine Homo sapiens urine Sample collection 100911_AcB-T48-1_POS sample 55 positive ex2 room_temperature yes 48 hour
urine Homo sapiens urine Sample collection 100911_AcB-T48-2_POS sample 67 positive ex2 room_temperature yes 48 hour
urine Homo sapiens urine Sample collection 100911_AcB-T48-3_POS sample 57 positive ex2 room_temperature yes 48 hour
urine Homo sapiens urine Sample collection 100911_AcB-T72-1_POS sample 28 positive ex2 room_temperature yes 72 hour
urine Homo sapiens urine Sample collection 100911_AcB-T72-2_POS sample 58 positive ex2 room_temperature yes 72 hour
urine Homo sapiens urine Sample collection 100911_AcB-T72-3_POS sample 44 positive ex2 room_temperature yes 72 hour
urine Homo sapiens urine Sample collection 100911_Blanc-1_POS blank 1 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-2_POS blank 2 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-3_POS blank 3 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-4_POS blank 13 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-5_POS blank 25 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-6_POS blank 37 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-7_POS blank 49 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-8_POS blank 61 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Blanc-9_POS blank 73 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_F-T0-1_POS sample 29 positive ex2 fridge no 0 hour
urine Homo sapiens urine Sample collection 100911_F-T0-2_POS sample 56 positive ex2 fridge no 0 hour
urine Homo sapiens urine Sample collection 100911_F-T0-3_POS sample 54 positive ex2 fridge no 0 hour
urine Homo sapiens urine Sample collection 100911_F-T12-1_POS sample 47 positive ex2 fridge no 12 hour
urine Homo sapiens urine Sample collection 100911_F-T12-2_POS sample 59 positive ex2 fridge no 12 hour
urine Homo sapiens urine Sample collection 100911_F-T12-3_POS sample 72 positive ex2 fridge no 12 hour
urine Homo sapiens urine Sample collection 100911_F-T24-1_POS sample 68 positive ex2 fridge no 24 hour
urine Homo sapiens urine Sample collection 100911_F-T24-2_POS sample 35 positive ex2 fridge no 24 hour
urine Homo sapiens urine Sample collection 100911_F-T24-3_POS sample 30 positive ex2 fridge no 24 hour
urine Homo sapiens urine Sample collection 100911_F-T48-1_POS sample 31 positive ex2 fridge no 48 hour
urine Homo sapiens urine Sample collection 100911_F-T48-2_POS sample 24 positive ex2 fridge no 48 hour
urine Homo sapiens urine Sample collection 100911_F-T48-3_POS sample 48 positive ex2 fridge no 48 hour
urine Homo sapiens urine Sample collection 100911_F-T72-1_POS sample 34 positive ex2 fridge no 72 hour
urine Homo sapiens urine Sample collection 100911_F-T72-2_POS sample 21 positive ex2 fridge no 72 hour
urine Homo sapiens urine Sample collection 100911_F-T72-3_POS sample 52 positive ex2 fridge no 72 hour
urine Homo sapiens urine Sample collection 100911_Pool-1_POS pool 14 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-2-1_POS pool 6 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-2-2_POS pool 9 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-2-3_POS pool 12 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-4-1_POS pool 5 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-4-2_POS pool 8 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-4-3_POS pool 11 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-5-1_POS pool 4 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-5-2_POS pool 7 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool1-5-3_POS pool 10 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool-2_POS pool 26 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool-3_POS pool 38 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool-4_POS pool 50 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool-5_POS pool 62 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_Pool-6_POS pool 74 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_PoolEI-1_POS pool 15 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_PoolEI-2_POS pool 27 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_PoolEI-3_POS pool 39 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_PoolEI-4_POS pool 51 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_PoolEI-5_POS pool 63 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_PoolEI-6_POS pool 75 positive ex2 NA NA NA hour
urine Homo sapiens urine Sample collection 100911_RT-T0-1_POS sample 32 positive ex2 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100911_RT-T0-2_POS sample 46 positive ex2 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100911_RT-T0-3_POS sample 53 positive ex2 room_temperature no 0 hour
urine Homo sapiens urine Sample collection 100911_RT-T12-1_POS sample 65 positive ex2 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100911_RT-T12-2_POS sample 43 positive ex2 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100911_RT-T12-3_POS sample 60 positive ex2 room_temperature no 12 hour
urine Homo sapiens urine Sample collection 100911_RT-T24-1_POS sample 64 positive ex2 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100911_RT-T24-2_POS sample 41 positive ex2 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100911_RT-T24-3_POS sample 66 positive ex2 room_temperature no 24 hour
urine Homo sapiens urine Sample collection 100911_RT-T48-1_POS sample 42 positive ex2 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100911_RT-T48-2_POS sample 33 positive ex2 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100911_RT-T48-3_POS sample 69 positive ex2 room_temperature no 48 hour
urine Homo sapiens urine Sample collection 100911_RT-T72-1_POS sample 22 positive ex2 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100911_RT-T72-2_POS sample 20 positive ex2 room_temperature no 72 hour
urine Homo sapiens urine Sample collection 100911_RT-T72-3_POS sample 18 positive ex2 room_temperature no 72 hour
Validations marked with (*) are specially approved by the MetaboLights Curators.
Click here for the detailed description of Validations.
Condition Status Description Requirement Group Message
PASSES Study Title MANDATORY STUDY OK
PASSES Study Description MANDATORY STUDY OK
PASSES Study text successfully parsed OPTIONAL STUDY OK
PASSES Study Contact(s) have listed email MANDATORY CONTACT OK
PASSES Sample(s) MANDATORY SAMPLES OK
PASSES Sample Name consistency check MANDATORY ASSAYS OK
PASSES Publication(s) associated with this Study MANDATORY PUBLICATION OK
PASSES Minimal Experimental protocol MANDATORY PROTOCOLS OK
PASSES Comprehensive Experimental protocol OPTIONAL PROTOCOLS OK
PASSES Sample Collection protocol MANDATORY PROTOCOLS OK
PASSES Protocols text successfully parsed OPTIONAL PROTOCOLS OK
PASSES Organism name MANDATORY ORGANISM OK
PASSES Organism part MANDATORY ORGANISM OK
PASSES Study Factors MANDATORY FACTORS OK
PASSES Assay platform information OPTIONAL ASSAYS OK
PASSES Assay has raw files referenced MANDATORY FILES OK
PASSES Assay referenced raw files detection in filesystem MANDATORY FILES OK
PASSES Raw files in the Assay(s) have the correct format MANDATORY FILES OK
PASSES Assay(s) MANDATORY ASSAYS OK
PASSES All Assays have Metabolite Assignment File (MAF) referenced OPTIONAL FILES OK
PASSES Metabolite Assignment File (MAF) is present in Study folder MANDATORY FILES OK
PASSES Metabolite Assignment File (MAF) has correct format MANDATORY FILES OK
PASSES Metabolite Identification File (MAF) content MANDATORY FILES OK
PASSES ISA-Tab investigation file check MANDATORY ISATAB OK

Assay  1

Assay file name: a_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry.txt
Technology: mass spectrometry
Platform: LTQ Orbitrap Velos (Thermo Scientific)

Data

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type Guard column Labeled Extract Name Label Protocol REF Scan polarity Scan m/z range Instrument Ion source Mass analyzer MS Assay Name Raw Spectral Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
100726_Blanc_NEG_0 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_0 100726_Blanc_NEG_0.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_1 100726_Blanc_NEG_1.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_2 100726_Blanc_NEG_2.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_3 100726_Blanc_NEG_3.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_5 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_5 100726_Blanc_NEG_5.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_6 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_6 100726_Blanc_NEG_6.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_7 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_7 100726_Blanc_NEG_7.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_8 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_8 100726_Blanc_NEG_8.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Blanc_NEG_9 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Blanc_NEG_9 100726_Blanc_NEG_9.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F0-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F0-1_NEG 100726_F0-1_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F0-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F0-2_NEG 100726_F0-2_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F0-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F0-3_NEG 100726_F0-3_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F12-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F12-1_NEG 100726_F12-1_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F12-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F12-2_NEG 100726_F12-2_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F12-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F12-3_NEG 100726_F12-3_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F24-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F24-1_NEG 100726_F24-1_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F24-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F24-2_NEG 100726_F24-2_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F24-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F24-3_NEG 100726_F24-3_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F36-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F36-1_NEG 100726_F36-1_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F36-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F36-2_NEG 100726_F36-2_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F36-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F36-3_NEG 100726_F36-3_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F48-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F48-1_NEG 100726_F48-1_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F48-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F48-2_NEG 100726_F48-2_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F48-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F48-3_NEG 100726_F48-3_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F72-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F72-1_NEG 100726_F72-1_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F72-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F72-2_NEG 100726_F72-2_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_F72-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_F72-3_NEG 100726_F72-3_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_2_NEG_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_2_NEG_1 100726_Pool_2_NEG_1.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_2_NEG_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_2_NEG_2 100726_Pool_2_NEG_2.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_2_NEG_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_2_NEG_3 100726_Pool_2_NEG_3.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_4_NEG_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_4_NEG_1 100726_Pool_4_NEG_1.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_4_NEG_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_4_NEG_2 100726_Pool_4_NEG_2.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_4_NEG_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_4_NEG_3 100726_Pool_4_NEG_3.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_5_NEG_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_5_NEG_1 100726_Pool_5_NEG_1.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_5_NEG_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_5_NEG_2 100726_Pool_5_NEG_2.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_5_NEG_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_5_NEG_3 100726_Pool_5_NEG_3.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_EI_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_EI_NEG 100726_Pool_EI_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_EI_NEG_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_EI_NEG_1 100726_Pool_EI_NEG_1.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_EI_NEG_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_EI_NEG_2 100726_Pool_EI_NEG_2.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_EI_NEG_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_EI_NEG_3 100726_Pool_EI_NEG_3.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_EI_NEG_4 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_EI_NEG_4 100726_Pool_EI_NEG_4.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_EI_NEG_5 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_EI_NEG_5 100726_Pool_EI_NEG_5.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_NEG 100726_Pool_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_NEG_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_NEG_1 100726_Pool_NEG_1.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_NEG_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_NEG_2 100726_Pool_NEG_2.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_NEG_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_NEG_3 100726_Pool_NEG_3.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_NEG_4 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_NEG_4 100726_Pool_NEG_4.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_Pool_NEG_5 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_Pool_NEG_5 100726_Pool_NEG_5.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT0-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT0-1_NEG 100726_RT0-1_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT0-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT0-2_NEG 100726_RT0-2_NEG.RAW Data transformation Metabolite identification m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT0-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT0-3_NEG 100726_RT0-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT12-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT12-1_NEG 100726_RT12-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT12-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT12-2_NEG 100726_RT12-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT12-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT12-3_NEG 100726_RT12-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT24-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT24-1_NEG 100726_RT24-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT24-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT24-2_NEG 100726_RT24-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT24-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT24-3_NEG 100726_RT24-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT36-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT36-1_NEG 100726_RT36-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT36-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT36-2_NEG 100726_RT36-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT36-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT36-3_NEG 100726_RT36-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT48-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT48-1_NEG 100726_RT48-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT48-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT48-2_NEG 100726_RT48-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT48-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT48-3_NEG 100726_RT48-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT72-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT72-1_NEG 100726_RT72-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT72-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT72-2_NEG 100726_RT72-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100726_RT72-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100726_RT72-3_NEG 100726_RT72-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T0-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T0-1_NEG 100910_AcB-T0-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T0-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T0-2_NEG 100910_AcB-T0-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T0-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T0-3_NEG 100910_AcB-T0-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T12-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T12-1_NEG 100910_AcB-T12-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T12-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T12-2_NEG 100910_AcB-T12-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T12-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T12-3_NEG 100910_AcB-T12-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T24-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T24-1_NEG 100910_AcB-T24-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T24-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T24-2_NEG 100910_AcB-T24-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T24-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T24-3_NEG 100910_AcB-T24-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T48-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T48-1_NEG 100910_AcB-T48-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T48-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T48-2_NEG 100910_AcB-T48-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T48-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T48-3_NEG 100910_AcB-T48-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T72-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T72-1_NEG 100910_AcB-T72-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T72-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T72-2_NEG 100910_AcB-T72-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_AcB-T72-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_AcB-T72-3_NEG 100910_AcB-T72-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-1_NEG 100910_Blanc-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-2_NEG 100910_Blanc-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-3_NEG 100910_Blanc-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-4_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-4_NEG 100910_Blanc-4_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-5_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-5_NEG 100910_Blanc-5_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-6_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-6_NEG 100910_Blanc-6_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-7_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-7_NEG 100910_Blanc-7_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-8_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-8_NEG 100910_Blanc-8_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Blanc-9_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Blanc-9_NEG 100910_Blanc-9_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T0-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T0-1_NEG 100910_F-T0-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T0-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T0-2_NEG 100910_F-T0-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T0-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T0-3_NEG 100910_F-T0-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T12-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T12-1_NEG 100910_F-T12-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T12-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T12-2_NEG 100910_F-T12-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T12-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T12-3_NEG 100910_F-T12-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T24-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T24-1_NEG 100910_F-T24-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T24-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T24-2_NEG 100910_F-T24-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T24-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T24-3_NEG 100910_F-T24-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T48-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T48-1_NEG 100910_F-T48-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T48-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T48-2_NEG 100910_F-T48-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T48-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T48-3_NEG 100910_F-T48-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T72-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T72-1_NEG 100910_F-T72-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T72-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T72-2_NEG 100910_F-T72-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_F-T72-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_F-T72-3_NEG 100910_F-T72-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool-1_NEG 100910_Pool-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-2-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-2-1_NEG 100910_Pool1-2-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-2-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-2-2_NEG 100910_Pool1-2-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-2-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-2-3_NEG 100910_Pool1-2-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-4-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-4-1_NEG 100910_Pool1-4-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-4-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-4-2_NEG 100910_Pool1-4-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-4-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-4-3_NEG 100910_Pool1-4-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-5-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-5-1_NEG 100910_Pool1-5-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-5-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-5-2_NEG 100910_Pool1-5-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool1-5-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool1-5-3_NEG 100910_Pool1-5-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool-2_NEG 100910_Pool-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool-3_NEG 100910_Pool-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool-4_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool-4_NEG 100910_Pool-4_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool-5_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool-5_NEG 100910_Pool-5_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_Pool-6_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_Pool-6_NEG 100910_Pool-6_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_PoolEI-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_PoolEI-1_NEG 100910_PoolEI-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_PoolEI-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_PoolEI-2_NEG 100910_PoolEI-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_PoolEI-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_PoolEI-3_NEG 100910_PoolEI-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_PoolEI-4_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_PoolEI-4_NEG 100910_PoolEI-4_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_PoolEI-5_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_PoolEI-5_NEG 100910_PoolEI-5_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_PoolEI-6_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_PoolEI-6_NEG 100910_PoolEI-6_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T0-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T0-1_NEG 100910_RT-T0-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T0-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T0-2_NEG 100910_RT-T0-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T0-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T0-3_NEG 100910_RT-T0-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T12-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T12-1_NEG 100910_RT-T12-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T12-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T12-2_NEG 100910_RT-T12-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T12-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T12-3_NEG 100910_RT-T12-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T24-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T24-1_NEG 100910_RT-T24-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T24-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T24-2_NEG 100910_RT-T24-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T24-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T24-3_NEG 100910_RT-T24-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T48-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T48-1_NEG 100910_RT-T48-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T48-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T48-2_NEG 100910_RT-T48-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T48-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T48-3_NEG 100910_RT-T48-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T72-1_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T72-1_NEG 100910_RT-T72-1_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T72-2_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T72-2_NEG 100910_RT-T72-2_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100910_RT-T72-3_NEG Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry negative 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100910_RT-T72-3_NEG 100910_RT-T72-3_NEG.RAW Data transformation m_NEG_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv

Assay  2

Assay file name: a_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry.txt
Technology: mass spectrometry
Platform: LTQ Orbitrap Velos (Thermo Scientific)

Data

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type Guard column Labeled Extract Name Label Protocol REF Scan polarity Scan m/z range Instrument Ion source Mass analyzer MS Assay Name Raw Spectral Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
100727_Blanc_POS_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Blanc_POS_1 100727_Blanc_POS_1.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Blanc_POS_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Blanc_POS_2 100727_Blanc_POS_2.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Blanc_POS_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Blanc_POS_3 100727_Blanc_POS_3.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Blanc_POS_4 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Blanc_POS_4 100727_Blanc_POS_4.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Blanc_POS_5 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Blanc_POS_5 100727_Blanc_POS_5.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Blanc_POS_6 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Blanc_POS_6 100727_Blanc_POS_6.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Blanc_POS_7 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Blanc_POS_7 100727_Blanc_POS_7.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F0-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F0-1_POS 100727_F0-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F0-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F0-2_POS 100727_F0-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F0-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F0-3_POS 100727_F0-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F12-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F12-1_POS 100727_F12-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F12-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F12-2_POS 100727_F12-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F12-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F12-3_POS 100727_F12-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F24-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F24-1_POS 100727_F24-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F24-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F24-2_POS 100727_F24-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F24-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F24-3_POS 100727_F24-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F36-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F36-1_POS 100727_F36-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F36-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F36-2_POS 100727_F36-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F36-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F36-3_POS 100727_F36-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F48-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F48-1_POS 100727_F48-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F48-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F48-2_POS 100727_F48-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F48-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F48-3_POS 100727_F48-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F72-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F72-1_POS 100727_F72-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F72-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F72-2_POS 100727_F72-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_F72-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_F72-3_POS 100727_F72-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_2_POS_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_2_POS_1 100727_Pool_2_POS_1.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_2_POS_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_2_POS_2 100727_Pool_2_POS_2.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_2_POS_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_2_POS_3 100727_Pool_2_POS_3.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_4_POS_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_4_POS_1 100727_Pool_4_POS_1.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_4_POS_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_4_POS_2 100727_Pool_4_POS_2.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_4_POS_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_4_POS_3 100727_Pool_4_POS_3.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_5_POS_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_5_POS_1 100727_Pool_5_POS_1.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_5_POS_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_5_POS_2 100727_Pool_5_POS_2.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_5_POS_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_5_POS_3 100727_Pool_5_POS_3.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_EI_POS_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_EI_POS_1 100727_Pool_EI_POS_1.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_EI_POS_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_EI_POS_2 100727_Pool_EI_POS_2.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_EI_POS_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_EI_POS_3 100727_Pool_EI_POS_3.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_EI_POS_4 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_EI_POS_4 100727_Pool_EI_POS_4.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_EI_POS_5 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_EI_POS_5 100727_Pool_EI_POS_5.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_EI_POS_6 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_EI_POS_6 100727_Pool_EI_POS_6.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_POS_1 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_POS_1 100727_Pool_POS_1.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_POS_2 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_POS_2 100727_Pool_POS_2.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_POS_3 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_POS_3 100727_Pool_POS_3.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_POS_4 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_POS_4 100727_Pool_POS_4.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_POS_5 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_POS_5 100727_Pool_POS_5.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_Pool_POS_6 Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_Pool_POS_6 100727_Pool_POS_6.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT0-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT0-1_POS 100727_RT0-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT0-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT0-2_POS 100727_RT0-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT0-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT0-3_POS 100727_RT0-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT12-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT12-1_POS 100727_RT12-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT12-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT12-2_POS 100727_RT12-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT12-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT12-3_POS 100727_RT12-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT24-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT24-1_POS 100727_RT24-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT24-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT24-2_POS 100727_RT24-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT24-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT24-3_POS 100727_RT24-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT36-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT36-1_POS 100727_RT36-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT36-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT36-2_POS 100727_RT36-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT36-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT36-3_POS 100727_RT36-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT48-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT48-1_POS 100727_RT48-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT48-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT48-2_POS 100727_RT48-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT48-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT48-3_POS 100727_RT48-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT72-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT72-1_POS 100727_RT72-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT72-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT72-2_POS 100727_RT72-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100727_RT72-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100727_RT72-3_POS 100727_RT72-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T0-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T0-1_POS 100911_AcB-T0-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T0-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T0-2_POS 100911_AcB-T0-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T0-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T0-3_POS 100911_AcB-T0-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T12-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T12-1_POS 100911_AcB-T12-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T12-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T12-2_POS 100911_AcB-T12-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T12-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T12-3_POS 100911_AcB-T12-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T24-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T24-1_POS 100911_AcB-T24-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T24-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T24-2_POS 100911_AcB-T24-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T24-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T24-3_POS 100911_AcB-T24-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T48-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T48-1_POS 100911_AcB-T48-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T48-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T48-2_POS 100911_AcB-T48-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T48-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T48-3_POS 100911_AcB-T48-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T72-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T72-1_POS 100911_AcB-T72-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T72-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T72-2_POS 100911_AcB-T72-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_AcB-T72-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_AcB-T72-3_POS 100911_AcB-T72-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-1_POS 100911_Blanc-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-2_POS 100911_Blanc-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-3_POS 100911_Blanc-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-4_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-4_POS 100911_Blanc-4_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-5_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-5_POS 100911_Blanc-5_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-6_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-6_POS 100911_Blanc-6_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-7_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-7_POS 100911_Blanc-7_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-8_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-8_POS 100911_Blanc-8_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Blanc-9_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Blanc-9_POS 100911_Blanc-9_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T0-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T0-1_POS 100911_F-T0-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T0-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T0-2_POS 100911_F-T0-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T0-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T0-3_POS 100911_F-T0-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T12-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T12-1_POS 100911_F-T12-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T12-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T12-2_POS 100911_F-T12-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T12-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T12-3_POS 100911_F-T12-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T24-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T24-1_POS 100911_F-T24-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T24-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T24-2_POS 100911_F-T24-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T24-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T24-3_POS 100911_F-T24-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T48-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T48-1_POS 100911_F-T48-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T48-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T48-2_POS 100911_F-T48-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T48-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T48-3_POS 100911_F-T48-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T72-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T72-1_POS 100911_F-T72-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T72-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T72-2_POS 100911_F-T72-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_F-T72-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_F-T72-3_POS 100911_F-T72-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool-1_POS 100911_Pool-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-2-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-2-1_POS 100911_Pool1-2-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-2-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-2-2_POS 100911_Pool1-2-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-2-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-2-3_POS 100911_Pool1-2-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-4-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-4-1_POS 100911_Pool1-4-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-4-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-4-2_POS 100911_Pool1-4-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-4-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-4-3_POS 100911_Pool1-4-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-5-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-5-1_POS 100911_Pool1-5-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-5-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-5-2_POS 100911_Pool1-5-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool1-5-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool1-5-3_POS 100911_Pool1-5-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool-2_POS 100911_Pool-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool-3_POS 100911_Pool-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool-4_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool-4_POS 100911_Pool-4_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool-5_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool-5_POS 100911_Pool-5_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_Pool-6_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_Pool-6_POS 100911_Pool-6_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_PoolEI-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_PoolEI-1_POS 100911_PoolEI-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_PoolEI-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_PoolEI-2_POS 100911_PoolEI-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_PoolEI-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_PoolEI-3_POS 100911_PoolEI-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_PoolEI-4_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_PoolEI-4_POS 100911_PoolEI-4_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_PoolEI-5_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_PoolEI-5_POS 100911_PoolEI-5_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_PoolEI-6_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_PoolEI-6_POS 100911_PoolEI-6_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T0-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T0-1_POS 100911_RT-T0-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T0-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T0-2_POS 100911_RT-T0-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T0-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T0-3_POS 100911_RT-T0-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T12-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T12-1_POS 100911_RT-T12-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T12-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T12-2_POS 100911_RT-T12-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T12-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T12-3_POS 100911_RT-T12-3_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T24-1_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T24-1_POS 100911_RT-T24-1_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T24-2_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization MS:orbitrap 100911_RT-T24-2_POS 100911_RT-T24-2_POS.RAW Data transformation Metabolite identification m_POS_impact_of_collection_conditions_on_the_urine_metabolome_metabolite_profiling_mass_spectrometry_v2_maf.tsv
100911_RT-T24-3_POS Extraction 20 μl of urine in 80 μl of deionized water Chromatography Thermo Scientific Accela UHPLC System Hypersil GOLD C18 (1.9 μm, 2.1 mm x 150 mm; Thermo Scientific) reverse phase Online prefilter (Interchim) Mass spectrometry positive 75-1000 Thermo Scientific LTQ Orbitrap Discovery MS:electrospray ionization