MTBLS384: Serum-based metabolomics characterization of pigs treated with ractopamine

Abstract

A study was performed to determine if serum-metabolomics could be used to establish a predictive tool for identifying ractopamine misuse in pigs. Ractopamine, a beta-agonist used as growth promoter in livestock, is with great controversy, and it has been forbidden in most countries worldwide. However, due to economic benefits, the possibility of widespread abuse of ractopamine still exists. “Omics” strategies, based on the observation of physiological perturbations, are promising approaches to tackle drug misuse in breeding animals. In this context, our aim was to set up a high performance liquid chromatography - high resolution mass spectrometry (HPLC-HRMS) based metabolomics workflow for screening pig serum for ractopamine administration. Therefore, an untargeted metabolomics approach was developed to characterize and compare serum metabolic profiles from control and treated pigs. Two different extraction strategies were investigated, and the results showed that the combination of methanol extraction and methanol-water extraction protocols significantly improve the metabolites coverage. A two-level data analysis using univariate and multivariate statistical analyses was carried out to establish descriptive and predictive models, which enabled the discrimination of treated animals from control animals and highlighted a number of candidate biomarkers that contributed the most in the observed discrimination. This research indicates that metabolomics approach can be considered as a powerful strategy to highlight biomarkers related to ractopamine treatment in pig which may subsequently be implemented as screening strategy to predict for such illicit practices.

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 Authors: Tao PENG, Anne-Lise ROYER, Yann GUITTON, Bruno LE BIZEC, Gaud DERVILLY-PINEL

  Release date: 12-Jun-2017

 Status: Public

Organism(s)

Sus scrofa

  Study Design

beta-agonist

growth promoter

MESH:Livestock

untargeted metabolites

CHMO:high-performance liquid chromatography-mass spectrometry

EFO:biomarker

EDAM:Omics

CHEBI:ractopamine

  Experimental Factors

Experiment

Extraction method

Injection batch

Protocol Description
Sample collection Ten 4 month-old female pigs (Axior Porc Charcutier) (Terrena, Ancenis, France) weighting 40 kg were randomly divided into control (n = 5 animals) and treated (n = 5 animals) groups. Animals were allowed a 3-day acclimatization period, following which, each animal received 1.8 kg feed/day. Pigs from the treatment group received then on a daily basis and during 29 days, a feed containing ractopamine hydrochloride (Sigma Aldrich) (10 mg/kg feed). The 10 ppm daily dose was selected as corresponding to classical doses used in finishing pigs. Blood samples were collected at day 3, 9, 16, 18, 23, 29, for both control and treated animals. The blood samples were allowed to clot at room temperature and the serum samples, obtained by centrifugation, were frozen and then stored at -80 °C. Prior to the extraction, serum samples were allowed to thaw on ice.
Extraction In order to investigate and compare the global metabolomics profiles, two extraction strategies were used for sample preparation.

Methanol extraction:
This strategy is similar to the procedure published by[1]. 400 µl serum sample was extracted with 1400 µl MeOH containing 1 ng/µl of each labeled internal standard. Then the mixture was vortexed for 20 s before centrifugation (2000 r/min, 20 min, 4 °C). 370 µl supernatant was collected and then evaporated to dryness under gentle N2 at 30 °C, and subsequently reconstituted with 150 µl H2O before HPLC–HRMS analysis.

Methanol–water extraction:
The extraction procedure firstly reported[2] and further re-adapted[3] was employed. The procedure consisted of a triphasic liquid–liquid extraction with MeOH:CHCl3:H2O (1:2:0.63). 190 µl of MeOH was added to 30 µl serum sample and the mixture was vortexed for 20 s. Following this, 380 µl of CHCl3 was added and vortexed for 20 s. Finally, 120 µl of H2O was added to induce phase separation. The sample was further shaken for 10 s and allowed to equilibrate at room temperature for 10 min before centrifugation (2000 r/min, 10 min, 4 °C). 150 µl the upper phase (MeOH+H2O) was then collected and evaporated to dryness under gentle N2 at 30 °C, and subsequently reconstituted with 30 µl H2O containing 2 ng/µl of each labeled internal standards before HPLC–HRMS analysis.

QC sample preparation:
A pooled quality control (QC) sample was prepared by pooling aliquots of all individual study samples. In our study, QC sample was extracted and processed according to the procedures described the above sections respectively. Then, these two reconstitution solutions were combined and mixed thoroughly before HPLC–HRMS analysis. The QC solution is therefore representative of both extraction strategies tested. The same QC solution was injected at the beginning, the end, but also intervals of every 5 samples in each batch run to assure the analytical repeatability and the quality of the fingerprinting process throughout the study.

Ref:
[1] Dunn WB, Broadhurst D, Begley P, Zelena E, Francis-McIntyre S, Anderson N, Brown M, Knowles JD, Halsall A, Haselden JN, Nicholls AW, Wilson ID, Kell DB, Goodacre R (2011). Procedures for large scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nature Protocols, 6, 1060–1083. doi:10.1038/nprot.2011.335. PMID:21720319
[2] Bligh WJ and Dyer EG (1959). A rapid method of total lipid extraction and purification. Canadian Journal of Biochemistry and Physiology, 37, 911–917. doi:10.1139/o59-099. PMID:13671378
[3] Bird SS, Marur VR, Sniatynski MJ, Greenberg HK, Kristal BS. (2011). Serum lipidomics profiling using LC-MS and high energy collisional dissociation fragmentation: Focus on triglyceride detection and characterization. Analytical Chemistry, 83, 6648–6657. doi:10.1021/ac201195d. PMID:21774539
Chromatography An UltiMate® 3000 Series high performance liquid chromatography (HPLC) system coupled to a hybrid quadrupole-orbitrap (Q-Exactive™) mass spectrometer (Thermo Fisher Scientific, Bremen, Germany) equipped with a heated electrospray (H-ESI II) source was used for sample analysis. The chromatographic separation was achieved on a Hypersil Gold C18 column (2.1 mm x 100 mm, 1.9 µm particle size, Thermo Fisher Scientific) together with the corresponding guard column maintained at 35 °C, without splitting to the electrospray interface. The mobile phase consisted in water containing 0.1% acetic acid (A) and acetonitrile containing 0.1% acetic acid (B). The used elution gradient (A:B, v/v) was as follows: 95:5 from 0 to 2.40 min; 75:25 at 4.50 min; 30:70 at 11 min; 0:100 at 14–16.5 min; 95:5 at 19–25 min. The injected volume was 5 µl and the flow rate was 400 µl/min.
Mass spectrometry A hybrid quadrupole-orbitrap (Q-Exactive™) mass spectrometer (Thermo Fisher Scientific, Bremen, Germany) equipped with a heated electrospray (H-ESI II) source was operating in a polarity switching ion mode (positive/negative). High resolution MS fingerprints were acquired using the following parameters: spray voltage ±3 kV; capillary temperature 350 °C; sheath gas flow rate 55 a.u. (arbitrary units), auxiliary gas flow rate 10 a.u., spare gas flow rate 0; max spray current ±100 µA; probe heater temperature 300 °C; S-lens RF level 50. Full scan mass spectra were acquired from m/z 65 to 975 at a mass resolving power of 70,000 Full Width at Half Maximum (FWHM) at m/z 200. The scan speed was 2 Hz in profile mode. Daily instrument calibration was performed using a MSCAL6 ProteoMass LTQ/FT-Hybrid. Xcalibur 2.2 (Thermo Fisher Scientific, San Jose, CA, USA) was used for data acquisition and analysis. In order not to bias statistical analyses or the metabolomics data structure, all the samples for analysis arising from control and treated animals, which were prepared separately by two extraction strategies, were randomized across the whole data acquisition sequence.
Data transformation HPLC–HESI (±) HRMS raw data files were initially preprocessed with Xcalibur 2.2. The raw (*.raw) files were subsequently converted to a more exchangeable format (*.mzXML) and polarity split using MSConvert[1]. Further data processing was performed using XCMS[2] software implemented with the R statistical language; multiple steps including: peak alignment, peak picking, retention time alignment followed by a peak grouping and integration step. The resulting XCMS matrix containing MS features for each sample, was subsequently exported to Excel® for univariate analysis, interbatch normalization and later to SIMCA-P+® (Version 13, Umetrics AB, Sweden) software for multivariate statistical analysis. The inter-batch instrumental drift may be confused with biological differences if it is not minimized. Therefore, after data processing, the removal of between-batch offsets and drifts was carried out by following the previously described procedure[3], assuming that the measurement errors in a single batch are randomly distributed, and that different batches can be compared and corrected using the average or median value of the QC samples in a batch.

Ref:
[1] Kessner D, Chambers M, Burke R, Agus D, Mallick P. ProteoWizard: Open source software for rapid proteomics tools development. Bioinformatics. 2008 Nov 1;24(21):2534-6. doi:10.1093/bioinformatics/btn323. PMID:18606607
[2] Smith CA, Want EJ, O'Maille G, Abagyan R, Siuzdak G. XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching and identification. Anal Chem. 2006 Feb 1;78(3):779-87. doi:10.1021/ac051437y. PMID:16448051
[3] van der Kloet FM, Bobeldijk I, Verheij ER, Jellema RH. Analytical error reduction using single point calibration for accurate and precise metabolomic phenotyping. J Proteome Res. 2009 Nov;8(11):5132-41. doi:10.1021/pr900499r. PMID:19754161
Metabolite identification Metabolites of interest were firstly identified on the basis of an internal databank and using Advanced Chemistry Development/Labs software (Advanced Chemistry Development, Inc. Toronto, ON, Canada). The details contained in the database for each metabolite are, mainly: retention time, monoisotopic accurate mass and fragmentation pattern[1]. An in-house Excel® Macro file was used to improve the annotation of the metabolic fingerprints automatically. Then, metabolites of interest were searched against online databases, i.e. METLIN[2][3][4] and HMDB[5][6][7]. Metabolite hits were searched for using mass tolerance of ±5 ppm, molecular species, charge state and adduct types. Additionally, results generated after database searches were assessed in relation to metabolites physiochemical properties, spectral similarities, matrix of occurrence and reports in related publications.

Ref:
[1] Courant F, Royer AL, Chéreau S, Morvan ML, Monteau F, Antignac JP, Le Bizec B. Implementation of a semi-automated strategy for the annotation of metabolomic fingerprints generated by liquid chromatography-high resolution mass spectrometry from biological samples. Analyst. 2012 Nov 7;137(21):4958-67. doi:10.1039/c2an35865d. PMID:22970429
[2] Smith CA, O'Maille G, Want EJ, Qin C, Trauger SA, Brandon TR, Custodio DE, Abagyan R, Siuzdak G. METLIN: A metabolite mass spectral database. Ther Drug Monit. 2005 Dec;27(6):747-51. PMID:16404815
[3] Tautenhahn R, Patti GJ, Rinehart D, Siuzdak G. XCMS online: A web-based platform to process untargeted metabolomic data. Anal Chem. 2012 Jun 5;84(11):5035-9. doi:10.1021/ac300698c. PMID:22533540
[4] Zhu ZJ, Schultz AW, Wang J, Johnson CH, Yannone SM, Patti GJ, Siuzdak G. Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database. Nat Protoc. 2013 Mar;8(3):451-60. doi:10.1038/nprot.2013.004. PMID:23391889
[5] Wishart DS, Tzur D, Knox C, Eisner R, Guo AC, Young N. et al. HMDB: The human metabolome database. Nucleic Acids Res. 2007 Jan;35(Database issue):D521-6. doi:10.1093/nar/gkl923. PMID:17202168
[6] Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, et al. (2009). HMDB: A knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. doi:10.1093/nar/gkn810. PMID:18953024
[7] Wishart DS, Jewison T, Guo AC, Wilson M, Knox C, Liu Y, et al. HMDB 3.0—The human metabolome database in 2013. Nucleic Acids Res. 2013 Jan;41(Database issue):D801-7. doi:10.1093/nar/gks1065. PMID:23161693
Source Name Organism Variant Organism part Protocol REF Sample Name Injection batch Extraction method Experiment
20160502_011 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_011 B1 NA QC
20160502_012 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_012 B1 NA QC
20160502_013 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_013 B1 NA QC
20160502_014 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_014 B1 methanol treated
20160502_015 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_015 B1 methanol plus water control
20160502_016 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_016 B1 methanol plus water control
20160502_017 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_017 B1 methanol plus water control
20160502_018 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_018 B1 methanol treated
20160502_019 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_019 B1 NA QC
20160502_021 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_021 B1 methanol control
20160502_022 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_022 B1 methanol control
20160502_024 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_024 B1 methanol plus water treated
20160502_025 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_025 B1 NA QC
20160502_026 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_026 B1 methanol control
20160502_028 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_028 B1 methanol plus water treated
20160502_030 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_030 B1 methanol control
20160502_031 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_031 B1 NA QC
20160502_032 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_032 B1 methanol plus water control
20160502_033 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_033 B1 methanol control
20160502_034 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_034 B1 methanol plus water control
20160502_036 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_036 B1 methanol plus water treated
20160502_037 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_037 B1 NA QC
20160502_038 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_038 B1 methanol plus water treated
20160502_040 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_040 B1 methanol plus water control
20160502_041 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_041 B1 methanol control
20160502_042 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_042 B1 methanol plus water treated
20160502_043 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_043 B1 NA QC
20160502_044 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_044 B1 methanol control
20160502_045 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_045 B1 methanol plus water treated
20160502_046 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_046 B1 methanol plus water treated
20160502_048 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_048 B1 methanol plus water treated
20160502_049 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_049 B1 NA QC
20160502_050 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_050 B1 methanol control
20160502_051 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_051 B1 methanol plus water control
20160502_052 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_052 B1 methanol treated
20160502_054 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160502_054 B1 NA QC
20160504_009 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_009 B2 NA QC
20160504_010 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_010 B2 NA QC
20160504_011 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_011 B2 NA QC
20160504_012 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_012 B2 methanol plus water control
20160504_015 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_015 B2 methanol control
20160504_016 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_016 B2 methanol plus water control
20160504_017 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_017 B2 NA QC
20160504_018 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_018 B2 methanol plus water control
20160504_019 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_019 B2 methanol treated
20160504_020 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_020 B2 methanol plus water treated
20160504_021 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_021 B2 methanol plus water control
20160504_022 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_022 B2 methanol control
20160504_023 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_023 B2 NA QC
20160504_024 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_024 B2 methanol treated
20160504_026 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_026 B2 methanol plus water treated
20160504_027 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_027 B2 methanol treated
20160504_028 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_028 B2 methanol plus water treated
20160504_029 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_029 B2 NA QC
20160504_031 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_031 B2 methanol plus water control
20160504_032 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_032 B2 methanol treated
20160504_033 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_033 B2 methanol plus water treated
20160504_034 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_034 B2 methanol treated
20160504_035 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_035 B2 NA QC
20160504_036 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_036 B2 methanol plus water treated
20160504_037 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_037 B2 methanol plus water treated
20160504_038 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_038 B2 methanol treated
20160504_039 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_039 B2 methanol plus water treated
20160504_040 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_040 B2 methanol plus water control
20160504_041 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_041 B2 NA QC
20160504_042 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_042 B2 methanol control
20160504_043 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_043 B2 methanol plus water treated
20160504_044 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_044 B2 methanol control
20160504_045 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_045 B2 methanol control
20160504_047 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_047 B2 NA QC
20160504_048 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160504_048 B2 NA QC
20160509_009 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_009 B3 NA QC
20160509_010 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_010 B3 NA QC
20160509_011 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_011 B3 NA QC
20160509_012 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_012 B3 methanol plus water treated
20160509_013 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_013 B3 methanol plus water control
20160509_014 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_014 B3 methanol treated
20160509_015 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_015 B3 methanol treated
20160509_016 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_016 B3 methanol plus water control
20160509_017 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_017 B3 NA QC
20160509_018 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_018 B3 methanol control
20160509_020 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_020 B3 methanol control
20160509_021 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_021 B3 methanol plus water control
20160509_022 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_022 B3 methanol control
20160509_023 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_023 B3 NA QC
20160509_024 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_024 B3 methanol plus water control
20160509_025 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_025 B3 methanol plus water control
20160509_027 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_027 B3 methanol plus water control
20160509_028 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_028 B3 methanol plus water treated
20160509_029 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_029 B3 NA QC
20160509_030 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_030 B3 methanol plus water control
20160509_031 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_031 B3 methanol treated
20160509_033 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_033 B3 methanol treated
20160509_034 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_034 B3 methanol treated
20160509_035 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_035 B3 NA QC
20160509_036 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_036 B3 methanol plus water treated
20160509_037 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_037 B3 methanol control
20160509_038 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_038 B3 methanol plus water treated
20160509_039 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_039 B3 methanol plus water treated
20160509_040 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_040 B3 methanol treated
20160509_041 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_041 B3 NA QC
20160509_042 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_042 B3 methanol plus water treated
20160509_043 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_043 B3 methanol plus water control
20160509_044 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_044 B3 methanol treated
20160509_045 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_045 B3 methanol plus water control
20160509_046 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_046 B3 methanol control
20160509_047 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_047 B3 NA QC
20160509_048 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160509_048 B3 NA QC
20160510_009 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_009 B4 NA QC
20160510_010 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_010 B4 NA QC
20160510_011 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_011 B4 NA QC
20160510_013 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_013 B4 methanol control
20160510_014 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_014 B4 methanol control
20160510_016 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_016 B4 methanol plus water treated
20160510_017 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_017 B4 NA QC
20160510_018 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_018 B4 methanol treated
20160510_019 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_019 B4 methanol control
20160510_020 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_020 B4 methanol control
20160510_021 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_021 B4 methanol plus water treated
20160510_022 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_022 B4 methanol control
20160510_023 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_023 B4 NA QC
20160510_024 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_024 B4 methanol treated
20160510_025 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_025 B4 methanol plus water control
20160510_026 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_026 B4 methanol control
20160510_027 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_027 B4 methanol treated
20160510_028 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_028 B4 methanol plus water control
20160510_029 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_029 B4 NA QC
20160510_030 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_030 B4 methanol control
20160510_032 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_032 B4 methanol treated
20160510_033 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_033 B4 methanol plus water control
20160510_034 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_034 B4 methanol plus water control
20160510_035 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_035 B4 NA QC
20160510_036 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_036 B4 methanol treated
20160510_037 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_037 B4 methanol plus water treated
20160510_038 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_038 B4 methanol control
20160510_039 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_039 B4 methanol plus water treated
20160510_040 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_040 B4 methanol control
20160510_041 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_041 B4 NA QC
20160510_042 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_042 B4 methanol plus water treated
20160510_043 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_043 B4 methanol plus water treated
20160510_044 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_044 B4 methanol plus water control
20160510_045 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_045 B4 methanol plus water control
20160510_046 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_046 B4 methanol treated
20160510_047 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_047 B4 NA QC
20160510_048 Sus scrofa Sus scrofa domesticus blood serum Sample collection 20160510_048 B4 NA QC

Assay 

Assay file name: a_ractoporc_metabolite_profiling_mass_spectrometry.txt
Measurement: metabolite profiling
Technology: mass spectrometry
Platform: Exactive (Thermo Scientific)

Instrumentation

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model Column type 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
20160502_011 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_011 20160502_011.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_012 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_012 20160502_012.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_013 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_013 20160502_013.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_014 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_014 20160502_014.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_015 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_015 20160502_015.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_016 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_016 20160502_016.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_017 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_017 20160502_017.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_018 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_018 20160502_018.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_019 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_019 20160502_019.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_021 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_021 20160502_021.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_022 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_022 20160502_022.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_024 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_024 20160502_024.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_025 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_025 20160502_025.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_026 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_026 20160502_026.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_028 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_028 20160502_028.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_030 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_030 20160502_030.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_031 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_031 20160502_031.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_032 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_032 20160502_032.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_033 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_033 20160502_033.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_034 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_034 20160502_034.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_036 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_036 20160502_036.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_037 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_037 20160502_037.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_038 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_038 20160502_038.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_040 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_040 20160502_040.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_041 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_041 20160502_041.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_042 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_042 20160502_042.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_043 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_043 20160502_043.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_044 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_044 20160502_044.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_045 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_045 20160502_045.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_046 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_046 20160502_046.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_048 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_048 20160502_048.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_049 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_049 20160502_049.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_050 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_050 20160502_050.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_051 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_051 20160502_051.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_052 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_052 20160502_052.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160502_054 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160502_054 20160502_054.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_009 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_009 20160504_009.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_010 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_010 20160504_010.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_011 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_011 20160504_011.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_012 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_012 20160504_012.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_015 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_015 20160504_015.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_016 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_016 20160504_016.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_017 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_017 20160504_017.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_018 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_018 20160504_018.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_019 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_019 20160504_019.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_020 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_020 20160504_020.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_021 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_021 20160504_021.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_022 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_022 20160504_022.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_023 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_023 20160504_023.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_024 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_024 20160504_024.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_026 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_026 20160504_026.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_027 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_027 20160504_027.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_028 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_028 20160504_028.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_029 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_029 20160504_029.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_031 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_031 20160504_031.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_032 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_032 20160504_032.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_033 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_033 20160504_033.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_034 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_034 20160504_034.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_035 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_035 20160504_035.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_036 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_036 20160504_036.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_037 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_037 20160504_037.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_038 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_038 20160504_038.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_039 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_039 20160504_039.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_040 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_040 20160504_040.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_041 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_041 20160504_041.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_042 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_042 20160504_042.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_043 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_043 20160504_043.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_044 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_044 20160504_044.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_045 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_045 20160504_045.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_047 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_047 20160504_047.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160504_048 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160504_048 20160504_048.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_009 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_009 20160509_009.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_010 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_010 20160509_010.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_011 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_011 20160509_011.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_012 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_012 20160509_012.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_013 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_013 20160509_013.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_014 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_014 20160509_014.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_015 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_015 20160509_015.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_016 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_016 20160509_016.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_017 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_017 20160509_017.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_018 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_018 20160509_018.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_020 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_020 20160509_020.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_021 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_021 20160509_021.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_022 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_022 20160509_022.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_023 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_023 20160509_023.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_024 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_024 20160509_024.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_025 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_025 20160509_025.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_027 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_027 20160509_027.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_028 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_028 20160509_028.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_029 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_029 20160509_029.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_030 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_030 20160509_030.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_031 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_031 20160509_031.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_033 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_033 20160509_033.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_034 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_034 20160509_034.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_035 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_035 20160509_035.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_036 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_036 20160509_036.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_037 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_037 20160509_037.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_038 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_038 20160509_038.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_039 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_039 20160509_039.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_040 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_040 20160509_040.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_041 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_041 20160509_041.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_042 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_042 20160509_042.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_043 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_043 20160509_043.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_044 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_044 20160509_044.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_045 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_045 20160509_045.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_046 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_046 20160509_046.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_047 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_047 20160509_047.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160509_048 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160509_048 20160509_048.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_009 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_009 20160510_009.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_010 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_010 20160510_010.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_011 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_011 20160510_011.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_013 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_013 20160510_013.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_014 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_014 20160510_014.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_016 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_016 20160510_016.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_017 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_017 20160510_017.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_018 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_018 20160510_018.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_019 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_019 20160510_019.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_020 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_020 20160510_020.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_021 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_021 20160510_021.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_022 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_022 20160510_022.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_023 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_023 20160510_023.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_024 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_024 20160510_024.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_025 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_025 20160510_025.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_026 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_026 20160510_026.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_027 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_027 20160510_027.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_028 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_028 20160510_028.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_029 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_029 20160510_029.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_030 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_030 20160510_030.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_032 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_032 20160510_032.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_033 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_033 20160510_033.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_034 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_034 20160510_034.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_035 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_035 20160510_035.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_036 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_036 20160510_036.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_037 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_037 20160510_037.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_038 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_038 20160510_038.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_039 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_039 20160510_039.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_040 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_040 20160510_040.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_041 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_041 20160510_041.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_042 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_042 20160510_042.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_043 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_043 20160510_043.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_044 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_044 20160510_044.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_045 Extraction methanol plus water none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_045 20160510_045.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_046 Extraction methanol none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_046 20160510_046.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_047 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_047 20160510_047.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_048 Extraction NA none Chromatography Thermo Scientific Dionex Ultimate 3000 HPLC system Hypersil GOLD C18 (1.9 µm, 2.1 mm x 100 mm; Thermo Scientific) reverse phase L-Leucine-5,5,5-d3, L-Tryptophan-2,3,3-d3, Indole-2,4,5,6,7-d5-3-acetic acid and 1,14-Tetradecanedioic-d24 acid Mass spectrometry alternating 65-975 Thermo Scientific Q Exactive electrospray ionization MS:orbitrap 20160510_048 20160510_048.raw Data transformation Metabolite identification m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
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List of study files   Subset

File
s_Serum-based metabolomics analysis of pigs treated with ractopamine.txt
i_Investigation.txt
20160504_040.raw
20160502_025.raw
20160502_013.raw
a_ractoporc_metabolite_profiling_mass_spectrometry.txt
20160510_024.raw
20160510_030.raw
20160504_041.raw
20160510_010.raw
20160510_018.raw
20160509_013.raw
20160509_035.raw
20160510_014.raw
20160510_045.raw
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20160502_017.raw
20160504_017.raw
20160509_044.raw
20160510_034.raw
20160502_011.raw
20160504_028.raw
20160510_011.raw
20160504_048.raw
20160510_028.raw
20160509_025.raw
20160502_012.raw
20160510_033.raw
20160509_036.raw
metexplore_mapping.json
20160509_018.raw
20160502_051.raw
20160510_017.raw
20160504_011.raw
20160510_044.raw
20160509_010.raw
20160502_037.raw
20160509_009.raw
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20160509_038.raw
20160504_018.raw
20160509_023.raw
20160502_036.raw
20160504_033.raw
20160502_054.raw
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20160509_024.raw
20160502_040.raw
20160502_034.raw
20160510_035.raw
20160502_015.raw
20160502_043.raw
20160504_036.raw
20160509_020.raw
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20160509_021.raw
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20160502_026.raw
20160509_046.raw
20160509_042.raw
20160504_037.raw
20160510_042.raw
20160502_028.raw
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20160504_026.raw
20160502_046.raw
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20160502_042.raw
20160509_028.raw
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20160502_041.raw
20160502_050.raw
20160509_041.raw
20160504_020.raw
20160509_015.raw
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20160504_045.raw
20160509_030.raw
20160509_048.raw
20160504_044.raw
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20160504_042.raw
20160504_027.raw
20160509_039.raw
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20160502_024.raw
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20160504_035.raw
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20160502_045.raw
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20160504_039.raw
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20160510_043.raw
20160510_025.raw
audit
20160502_019.raw
20160504_009.raw
20160510_021.raw
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20160504_016.raw
20160504_038.raw
20160510_036.raw
20160502_030.raw
20160509_047.raw
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20160502_033.raw
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20160502_031.raw
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20160504_029.raw
20160509_045.raw
20160510_048.raw
20160510_041.raw
20160502_032.raw
20160509_029.raw
20160509_031.raw
m_ractoporc_metabolite_profiling_mass_spectrometry_v2_maf.tsv
20160510_023.raw
20160509_017.raw
20160502_022.raw
20160510_016.raw
20160510_019.raw

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Validations marked with (*) have been allowed 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 Extraction protocol description MANDATORY PROTOCOLS OK
PASSES Data transformation protocol description MANDATORY PROTOCOLS OK
PASSES Metabolite Identification protocol description MANDATORY PROTOCOLS OK
PASSES Mass spectrometry protocol description MANDATORY PROTOCOLS OK
PASSES Chromatography protocol description MANDATORY PROTOCOLS OK
PASSES Sample Collection protocol description 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

Pathways - Assay 



MetExplore Pathways Mapping

Name DB Identifier Mapped Metabolite(s)