MTBLS419: Evidence of a DHA signature in the lipidome and metabolome of human hepatocytes

Abstract

Cell supplementation with bioactive molecules often causes a perturbation in the whole intracellular environment. Omics techniques can be applied for the assessment of this perturbation. In this study, the overall effect of docosahexaenoic acid (DHA) supplementation on cultured human hepatocyte lipidome and metabolome has been investigated using NMR in combination with traditional techniques. The effect of two additional bioactives sharing with DHA the lipid lowering effect - propionic acid (PRO) and protocatechuic acid (PCA) - has been also evaluated, also considering possible synergism. NMR analysis of the cell lipid extracts showed that DHA supplementation, alone or in combination with PCA or PRO, strongly altered the cell lipid profile. The perfect discrimination between cells receiving DHA (alone or in combination) and the other cells reinforced the idea of a global rearrangement of the lipid environment induced by DHA. Notably, GC and fluorimetric analyses totally confirmed the strong discrimination obtained by NMR. The DHA signature was evidenced not only in the cell lipidome, but also in the metabolome. Results herein reported indicate that NMR, combined with other techniques, represents a fundamental approach while studying the effect of the supplementation of bioactives, particularly in the case of molecules having a broad spectrum of mechanisms of action.

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 Authors: Veronica Ghini, Mattia Di Nunzio, Leonardo Tenori, Veronica Valli, Francesca Danesi, Francesco Capozzi, Luchinat Claudio, Alessandra Bordoni

  Release date: 02-Mar-2017

 Status: Public

Organism(s)

Homo sapiens

  Study Design

CHEBI:docosahexaenoic acid

CHEBI:3,4-dihydroxybenzoic acid

CHEBI:propionic acid

NCIT:Metabolomics

CSEO:Lipidomics

CHMO:nuclear magnetic resonance spectrometer

targeted metabolites

  Experimental Factors

compound

time post exposure

Protocol Description
Sample collection HepG2 human hepatoma cells were kept at 37 °C, 95% air, 5% CO2 in DMEM supplemented with 10% (v/v) fetal bovine serum (FBS), 100 U/ml penicillin and 100 mg/ml streptomycin. Once a week, cells were split 1:20 into a new 75 cm^2 flask, and medium was refreshed. Cells were seeded at a density of 0.6 × 10^6 cells (for fatty acid and lipid quantification) or at 1.0 × 10^6 cells (for NMR experiments). After 24 h, at 75%–80% confluence, cells were divided randomly into 6 groups: (i) not supplemented (NS); (ii) supplemented with 70 µM PRO; (iii) supplemented with 20 µM PCA; (iv) supplemented with 50 µM DHA; (v) supplemented with 50 µM DHA + 70 µM PRO; (vi) supplemented with 50 µM DHA + 20 µM PCA.

DHA was dissolved in 100% ethanol, and complexed to bovine serum albumin (BSA); fatty acid–BSA complexes were prepared fresh each time at a final BSA concentration of 0.5% in serum-free DMEM. PCA was dissolved in dimethyl sulfoxide (DMSO) acidified with HCl (at pH 2), while PRO was dissolved in water. The final concentration of ethanol and DMSO was kept below 0.1% in serum-free DMEM. Control cells received corresponding amounts of BSA, ethanol and DMSO. DHA, PRO and PCA concentrations used in the study were evidenced to be non-cytotoxic in preliminary experiments.
Extraction Cells were scraped off; the cell pellet was washed with ice-cold M9 buffer to remove traces of growth medium, and dissolved with 400 µl ice-cold DPBS buffer. Cells were lysed by sonication for 150 s by repeating the pulse 2 s on and 3 s off, then extracted using 800 µl of methanol-chloroform 1:1 (v/v) pre-cold at -80 °C. After mixing, vortex cells were incubated on ice for 30 min, and centrifuged at 14,000 x g for 20 min at 4 °C. The resulting two phases were divided carefully, and the extraction procedure was repeated twice for each sample.
NMR sample To prepare the water-soluble extracts, for each sample, the whole volume was evaporated, and the dried water-soluble cell extract was dissolved in 750 µl of phosphate sodium buffer (70 mM Na2HPO4; 20% (v/v) 2H2O; 0.025% (v/v) NaN3; 0.8% (w/v) sodium trimethylsilyl [2,2,3,3-2H4]propionate (TMSP) pH 7.4). A total of 600 µl of the extract were then transferred into 5 mm NMR tubes (Bruker BioSpin srl; Rheinstetten, Germany) for the analysis.

To prepare the lipid extract, for each sample, the whole volume was evaporated and the dried lipid cell extract was dissolved in 750 µl of CDCl3, and 600 µl were transferred into 5 mm NMR tubes (Bruker BioSpin srl; Rheinstetten, Germany) for the analysis.
NMR spectroscopy 1H-NMR spectra for all samples were acquired using a Bruker 600 MHz spectrometer (Bruker BioSpin srl; Rheinstetten, Germany) operating at 600.13 MHz proton Larmor frequency and equipped with a 5 mm PATXI 1H-13C-15N and 2H-decoupling probe including a z axis gradient coil, an automatic tuning-matching (ATM) and an automatic and refrigerated sample changer (SampleJet, Bruker BioSpin srl; Rheinstetten, Germany). A BTO 2000 thermocouple served for temperature stabilization at the level of approximately 0.1 K at the sample. Before measurement, samples were kept for 5 min inside the NMR probe head, for temperature equilibration at 300 K.
NMR assay For each sample, a monodimensional 1H NMR spectra was acquired with water peak suppression and a standard NOESY (Nuclear Overhauser Effect Spectroscopy) pulse sequence using 32 scans; 98,304 data points; a spectral width of 18,028 Hz; an acquisition time of 2.7 s; a relaxation delay of 4 s; and a mixing time of 0.1 s.
Data transformation Free induction decays were multiplied by an exponential function equivalent to a 1.0 Hz line-broadening factor before applying Fourier transform. Transformed spectra were automatically corrected for phase and baseline distortions and calibrated (anomeric glucose peak at 5.24 ppm) using TopSpin (Version 3.8.4, Bruker). Each 1-D spectrum in the range between 0.02 and 10.00 ppm was segmented into 0.02 ppm chemical shift bins, and the corresponding spectral areas were integrated using AMIX software(Bruker BioSpin). Regions between 6.0 and 4.5 ppm containing residual water were removed.
Metabolite identification Signal identification was performed using a library of NMR spectra of pure organic compounds, public databases (such as HMBD, Human Metabolic Database, and SDBS, Spectra Database for Organic Compounds) storing reference NMR spectra of metabolites, spiking NMR experiments and literature data [1][2].

Ref:
[1] Wishart DS, Jewison T, Guo AC, Wilson M, Knox C, Liu Y, Djoumbou Y, Mandal R, Aziat F, Dong E, et al. (2013) HMDB 3.0—The Human Metabolome Database in 2013. Nucleic Acids Res. 41, D801–D807.
[2] Vinaixa M, Rodriguez MA, Rull A, Beltran R, Blade C, Brezmes J, Canellas N, Joven J, Correig X. (2010) Metabolomic assessment of the effect of dietary cholesterol in the progressive development of fatty liver disease. J. Proteome Res. 9, 2527–2538.
Source Name Organism Organism part Protocol REF Sample Name time post exposure Unit compound
C1-6h-MET Homo sapiens hepatoma cell Sample collection C1-6h-MET 6 hour NS
C2-6h-MET Homo sapiens hepatoma cell Sample collection C2-6h-MET 6 hour NS
C3-6h-MET Homo sapiens hepatoma cell Sample collection C3-6h-MET 6 hour NS
C7-6h-MET Homo sapiens hepatoma cell Sample collection C7-6h-MET 6 hour NS
C8-6h-MET Homo sapiens hepatoma cell Sample collection C8-6h-MET 6 hour NS
DHA1-6h-MET Homo sapiens hepatoma cell Sample collection DHA1-6h-MET 6 hour DHA
DHA2-6h-MET Homo sapiens hepatoma cell Sample collection DHA2-6h-MET 6 hour DHA
DHA3-6h-MET Homo sapiens hepatoma cell Sample collection DHA3-6h-MET 6 hour DHA
DHA7-6h-MET Homo sapiens hepatoma cell Sample collection DHA7-6h-MET 6 hour DHA
DHA8-6h-MET Homo sapiens hepatoma cell Sample collection DHA8-6h-MET 6 hour DHA
DHA-PCA1-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA1-6h-MET 6 hour DHA + PCA
DHA-PCA2-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA2-6h-MET 6 hour DHA + PCA
DHA-PCA3-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA3-6h-MET 6 hour DHA + PCA
DHA-PCA7-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA7-6h-MET 6 hour DHA + PCA
DHA-PCA8-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA8-6h-MET 6 hour DHA + PCA
DHA-PRO1-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO1-6h-MET 6 hour DHA + PRO
DHA-PRO2-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO2-6h-MET 6 hour DHA + PRO
DHA-PRO3-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO3-6h-MET 6 hour DHA + PRO
DHA-PRO7-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO7-6h-MET 6 hour DHA + PRO
DHA-PRO8-6h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO8-6h-MET 6 hour DHA + PRO
PCA1-6h-MET Homo sapiens hepatoma cell Sample collection PCA1-6h-MET 6 hour PCA
PCA2-6h-MET Homo sapiens hepatoma cell Sample collection PCA2-6h-MET 6 hour PCA
PCA3-6h-MET Homo sapiens hepatoma cell Sample collection PCA3-6h-MET 6 hour PCA
PCA7-6h-MET Homo sapiens hepatoma cell Sample collection PCA7-6h-MET 6 hour PCA
PCA8-6h-MET Homo sapiens hepatoma cell Sample collection PCA8-6h-MET 6 hour PCA
PRO1-6h-MET Homo sapiens hepatoma cell Sample collection PRO1-6h-MET 6 hour PRO
PRO2-6h-MET Homo sapiens hepatoma cell Sample collection PRO2-6h-MET 6 hour PRO
PRO3-6h-MET Homo sapiens hepatoma cell Sample collection PRO3-6h-MET 6 hour PRO
PRO7-6h-MET Homo sapiens hepatoma cell Sample collection PRO7-6h-MET 6 hour PRO
PRO8-6h-MET Homo sapiens hepatoma cell Sample collection PRO8-6h-MET 6 hour PRO
C1_6h_CL Homo sapiens hepatoma cell Sample collection C1_6h_CL 6 hour NS
C2_6h_CL Homo sapiens hepatoma cell Sample collection C2_6h_CL 6 hour NS
C3_6h_CL Homo sapiens hepatoma cell Sample collection C3_6h_CL 6 hour NS
C7-6h-CLO Homo sapiens hepatoma cell Sample collection C7-6h-CLO 6 hour NS
C8-6h-CLO Homo sapiens hepatoma cell Sample collection C8-6h-CLO 6 hour NS
DHA+PCA1_6h_CL Homo sapiens hepatoma cell Sample collection DHA+PCA1_6h_CL 6 hour DHA + PCA
DHA+PCA2_6h_CL Homo sapiens hepatoma cell Sample collection DHA+PCA2_6h_CL 6 hour DHA + PCA
DHA+PCA3_6h_CL Homo sapiens hepatoma cell Sample collection DHA+PCA3_6h_CL 6 hour DHA + PCA
DHA+PCA7-6h-CLO Homo sapiens hepatoma cell Sample collection DHA+PCA7-6h-CLO 6 hour DHA + PCA
DHA+PCA8-6h-CLO Homo sapiens hepatoma cell Sample collection DHA+PCA8-6h-CLO 6 hour DHA + PCA
DHA+PRO1_6h_CL Homo sapiens hepatoma cell Sample collection DHA+PRO1_6h_CL 6 hour DHA + PRO
DHA+PRO2_6h_CL Homo sapiens hepatoma cell Sample collection DHA+PRO2_6h_CL 6 hour DHA + PRO
DHA+PRO3_6h_CL Homo sapiens hepatoma cell Sample collection DHA+PRO3_6h_CL 6 hour DHA + PRO
DHA+PRO7-6h-CLO Homo sapiens hepatoma cell Sample collection DHA+PRO7-6h-CLO 6 hour DHA + PRO
DHA+PRO8-6h-CLO Homo sapiens hepatoma cell Sample collection DHA+PRO8-6h-CLO 6 hour DHA + PRO
DHA1_6h_CL Homo sapiens hepatoma cell Sample collection DHA1_6h_CL 6 hour DHA
DHA2_6h_CL Homo sapiens hepatoma cell Sample collection DHA2_6h_CL 6 hour DHA
DHA3_6h_CL Homo sapiens hepatoma cell Sample collection DHA3_6h_CL 6 hour DHA
DHA7-6h-CLO Homo sapiens hepatoma cell Sample collection DHA7-6h-CLO 6 hour DHA
DHA8-6h-CLO Homo sapiens hepatoma cell Sample collection DHA8-6h-CLO 6 hour DHA
PCA1_6h_CL Homo sapiens hepatoma cell Sample collection PCA1_6h_CL 6 hour PCA
PCA2_6h_CL Homo sapiens hepatoma cell Sample collection PCA2_6h_CL 6 hour PCA
PCA3_6h_CL Homo sapiens hepatoma cell Sample collection PCA3_6h_CL 6 hour PCA
PCA7-6h-CLO Homo sapiens hepatoma cell Sample collection PCA7-6h-CLO 6 hour PCA
PCA8-6h-CLO Homo sapiens hepatoma cell Sample collection PCA8-6h-CLO 6 hour PCA
PRO1_6h_CL Homo sapiens hepatoma cell Sample collection PRO1_6h_CL 6 hour PRO
PRO2_6h_CL Homo sapiens hepatoma cell Sample collection PRO2_6h_CL 6 hour PRO
PRO3_6h_CL Homo sapiens hepatoma cell Sample collection PRO3_6h_CL 6 hour PRO
PRO7-6h-CLO Homo sapiens hepatoma cell Sample collection PRO7-6h-CLO 6 hour PRO
PRO8-6h-CLO Homo sapiens hepatoma cell Sample collection PRO8-6h-CLO 6 hour PRO
C10-24h-MET Homo sapiens hepatoma cell Sample collection C10-24h-MET 24 hour NS
C4-24h-MET Homo sapiens hepatoma cell Sample collection C4-24h-MET 24 hour NS
C5-24h-MET Homo sapiens hepatoma cell Sample collection C5-24h-MET 24 hour NS
C6-24h-MET Homo sapiens hepatoma cell Sample collection C6-24h-MET 24 hour NS
C9-24h-MET Homo sapiens hepatoma cell Sample collection C9-24h-MET 24 hour NS
DHA10-24h-MET Homo sapiens hepatoma cell Sample collection DHA10-24h-MET 24 hour DHA
DHA4-24h-MET Homo sapiens hepatoma cell Sample collection DHA4-24h-MET 24 hour DHA
DHA5-24h-MET Homo sapiens hepatoma cell Sample collection DHA5-24h-MET 24 hour DHA
DHA6-24h-MET Homo sapiens hepatoma cell Sample collection DHA6-24h-MET 24 hour DHA
DHA9-24h-MET Homo sapiens hepatoma cell Sample collection DHA9-24h-MET 24 hour DHA
DHA-PCA10-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA10-24h-MET 24 hour DHA + PCA
DHA-PCA4-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA4-24h-MET 24 hour DHA + PCA
DHA-PCA5-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA5-24h-MET 24 hour DHA + PCA
DHA-PCA6-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PCA6-24h-MET 24 hour DHA + PCA
DHA-PRO10-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO10-24h-MET 24 hour DHA + PRO
DHA-PRO4-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO4-24h-MET 24 hour DHA + PRO
DHA-PRO5-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO5-24h-MET 24 hour DHA + PRO
DHA-PRO6-24h-MET Homo sapiens hepatoma cell Sample collection DHA-PRO6-24h-MET 24 hour DHA + PRO
PCA10-24h-MET Homo sapiens hepatoma cell Sample collection PCA10-24h-MET 24 hour PCA
PCA4-24h-MET Homo sapiens hepatoma cell Sample collection PCA4-24h-MET 24 hour PCA
PCA5-24h-MET Homo sapiens hepatoma cell Sample collection PCA5-24h-MET 24 hour PCA
PCA6-24h-MET Homo sapiens hepatoma cell Sample collection PCA6-24h-MET 24 hour PCA
PCA9-24h-MET Homo sapiens hepatoma cell Sample collection PCA9-24h-MET 24 hour PRO
PRO10-24h-MET Homo sapiens hepatoma cell Sample collection PRO10-24h-MET 24 hour PRO
PRO4-24h-MET Homo sapiens hepatoma cell Sample collection PRO4-24h-MET 24 hour PRO
PRO5-24h-MET Homo sapiens hepatoma cell Sample collection PRO5-24h-MET 24 hour PRO
PRO6-24h-MET Homo sapiens hepatoma cell Sample collection PRO6-24h-MET 24 hour PRO
C10-24h-CLO Homo sapiens hepatoma cell Sample collection C10-24h-CLO 24 hour NS
C4_24h_CL Homo sapiens hepatoma cell Sample collection C4_24h_CL 24 hour NS
C5_24h_CL Homo sapiens hepatoma cell Sample collection C5_24h_CL 24 hour NS
C6_24h_CL Homo sapiens hepatoma cell Sample collection C6_24h_CL 24 hour NS
C9-24h-CLO Homo sapiens hepatoma cell Sample collection C9-24h-CLO 24 hour NS
DHA+PCA10-24h-CLO Homo sapiens hepatoma cell Sample collection DHA+PCA10-24h-CLO 24 hour DHA + PCA
DHA+PCA4_24h_CL Homo sapiens hepatoma cell Sample collection DHA+PCA4_24h_CL 24 hour DHA + PCA
DHA+PCA5_24h_CL Homo sapiens hepatoma cell Sample collection DHA+PCA5_24h_CL 24 hour DHA + PCA
DHA+PCA6_24h_CL Homo sapiens hepatoma cell Sample collection DHA+PCA6_24h_CL 24 hour DHA + PCA
DHA+PCA9-24h-CLO Homo sapiens hepatoma cell Sample collection DHA+PCA9-24h-CLO 24 hour DHA + PCA
DHA+PRO10-24h-CLO Homo sapiens hepatoma cell Sample collection DHA+PRO10-24h-CLO 24 hour DHA + PRO
DHA+PRO4_24h_CL Homo sapiens hepatoma cell Sample collection DHA+PRO4_24h_CL 24 hour DHA + PRO
DHA+PRO5_24h_CL Homo sapiens hepatoma cell Sample collection DHA+PRO5_24h_CL 24 hour DHA + PRO
DHA+PRO6_24h_CL Homo sapiens hepatoma cell Sample collection DHA+PRO6_24h_CL 24 hour DHA + PRO
DHA+PRO9-24h-CLO Homo sapiens hepatoma cell Sample collection DHA+PRO9-24h-CLO 24 hour DHA + PRO
DHA10-24h-CLO Homo sapiens hepatoma cell Sample collection DHA10-24h-CLO 24 hour DHA
DHA4_24h_CL Homo sapiens hepatoma cell Sample collection DHA4_24h_CL 24 hour DHA
DHA5_24h_CL Homo sapiens hepatoma cell Sample collection DHA5_24h_CL 24 hour DHA
DHA6_24h_CL Homo sapiens hepatoma cell Sample collection DHA6_24h_CL 24 hour DHA
DHA9-24h-CLO Homo sapiens hepatoma cell Sample collection DHA9-24h-CLO 24 hour DHA
PCA10-24h-CLO Homo sapiens hepatoma cell Sample collection PCA10-24h-CLO 24 hour PCA
PCA4_24h_CL Homo sapiens hepatoma cell Sample collection PCA4_24h_CL 24 hour PCA
PCA5_24h_CL Homo sapiens hepatoma cell Sample collection PCA5_24h_CL 24 hour PCA
PCA6_24h_CL Homo sapiens hepatoma cell Sample collection PCA6_24h_CL 24 hour PCA
PCA9-24h-CLO Homo sapiens hepatoma cell Sample collection PCA9-24h-CLO 24 hour PCA
PRO10-24h-CLO Homo sapiens hepatoma cell Sample collection PRO10-24h-CLO 24 hour PRO
PRO4_24h_CL Homo sapiens hepatoma cell Sample collection PRO4_24h_CL 24 hour PRO
PRO5_24h_CL Homo sapiens hepatoma cell Sample collection PRO5_24h_CL 24 hour PRO
PRO6_24h_CL Homo sapiens hepatoma cell Sample collection PRO6_24h_CL 24 hour PRO
PRO9-24h-CLO Homo sapiens hepatoma cell Sample collection PRO9-24h-CLO 24 hour PRO

Assay 

Assay file name: a_pathway_metabolite_profiling_NMR_spectroscopy.txt
Measurement: metabolite profiling
Technology: NMR spectroscopy
Platform: Bruker

Instrumentation

Sample Name Protocol REF Extraction Method Extract Name Protocol REF NMR tube type Solvent Sample pH Temperature Unit Labeled Extract Name Label Protocol REF Instrument NMR Probe Number of transients Pulse sequence name Magnetic field strength Unit Acquisition Parameter Data File Protocol REF NMR Assay Name Free Induction Decay Data File Protocol REF Normalization Name Derived Spectral Data File Protocol REF Data Transformation Name Metabolite Assignment File
C10-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C10-24h-MET C10-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C1-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C1-6h-MET C1-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C2-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C2-6h-MET C2-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C3-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C3-6h-MET C3-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C4-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C4-24h-MET C4-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C5-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C5-24h-MET C5-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C6-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C6-24h-MET C6-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C7-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C7-6h-MET C7-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C8-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C8-6h-MET C8-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C9-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C9-24h-MET C9-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA10-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA10-24h-MET DHA10-24h-MET(9).rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA1-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA1-6h-MET DHA1-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA2-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA2-6h-MET DHA2-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA3-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA3-6h-MET DHA3-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA4-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA4-24h-MET DHA4-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA5-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA5-24h-MET DHA5-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA6-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA6-24h-MET DHA6-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA7-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA7-6h-MET DHA7-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA8-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA8-6h-MET DHA8-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA9-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA9-24h-MET DHA9-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA10-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA10-24h-MET DHA-PCA10-24h-MET(9).rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA1-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA1-6h-MET DHA-PCA1-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA2-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA2-6h-MET DHA-PCA2-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA3-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA3-6h-MET DHA-PCA3-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA4-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA4-24h-MET DHA-PCA4-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA5-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA5-24h-MET DHA-PCA5-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA6-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA6-24h-MET DHA-PCA6-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA7-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA7-6h-MET DHA-PCA7-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PCA8-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PCA8-6h-MET DHA-PCA8-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO10-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO10-24h-MET DHA-PRO10-24h-MET(9).rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO1-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO1-6h-MET DHA-PRO1-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO2-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO2-6h-MET DHA-PRO2-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO3-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO3-6h-MET DHA-PRO3-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO4-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO4-24h-MET DHA-PRO4-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO5-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO5-24h-MET DHA-PRO5-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO6-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO6-24h-MET DHA-PRO6-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO7-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO7-6h-MET DHA-PRO7-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA-PRO8-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA-PRO8-6h-MET DHA-PRO8-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA10-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA10-24h-MET PCA10-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA1-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA1-6h-MET PCA1-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA2-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA2-6h-MET PCA2-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA3-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA3-6h-MET PCA3-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA4-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA4-24h-MET PCA4-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA5-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA5-24h-MET PCA5-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA6-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA6-24h-MET PCA6-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA7-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA7-6h-MET PCA7-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA8-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA8-6h-MET PCA8-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA9-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA9-24h-MET PCA9-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO10-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO10-24h-MET PRO10-24h-MET(9).rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO1-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO1-6h-MET PRO1-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO2-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO2-6h-MET PRO2-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO3-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO3-6h-MET PRO3-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO4-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO4-24h-MET PRO4-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO5-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO5-24h-MET PRO5-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO6-24h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO6-24h-MET PRO6-24h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO7-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO7-6h-MET PRO7-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO8-6h-MET Extraction water-soluble extract NMR sample 5 mm standard 0.07 M phosphate buffered D2O 7.4 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO8-6h-MET PRO8-6h-MET.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C10-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C10-24h-CLO C10-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C1_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C1_6h_CL C1_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C2_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C2_6h_CL C2_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C3_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C3_6h_CL C3_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C4_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C4_24h_CL C4_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C5_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C5_24h_CL C5_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C6_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C6_24h_CL C6_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C7-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C7-6h-CLO C7-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C8-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C8-6h-CLO C8-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
C9-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay C9-24h-CLO C9-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA10-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA10-24h-CLO DHA+PCA10-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA1_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA1_6h_CL DHA+PCA1_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA2_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA2_6h_CL DHA+PCA2_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA3_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA3_6h_CL DHA+PCA3_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA4_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA4_24h_CL DHA+PCA4_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA5_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA5_24h_CL DHA+PCA5_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA6_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA6_24h_CL DHA+PCA6_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA7-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA7-6h-CLO DHA+PCA7-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA8-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA8-6h-CLO DHA+PCA8-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PCA9-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PCA9-24h-CLO DHA+PCA9-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO10-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO10-24h-CLO DHA+PRO10-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO1_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO1_6h_CL DHA+PRO1_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO2_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO2_6h_CL DHA+PRO2_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO3_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO3_6h_CL DHA+PRO3_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO4_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO4_24h_CL DHA+PRO4_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO5_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO5_24h_CL DHA+PRO5_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO6_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO6_24h_CL DHA+PRO6_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO7-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO7-6h-CLO DHA+PRO7-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO8-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO8-6h-CLO DHA+PRO8-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA+PRO9-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA+PRO9-24h-CLO DHA+PRO9-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA10-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA10-24h-CLO DHA10-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA1_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA1_6h_CL DHA1_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA2_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA2_6h_CL DHA2_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA3_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA3_6h_CL DHA3_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA4_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA4_24h_CL DHA4_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA5_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA5_24h_CL DHA5_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA6_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA6_24h_CL DHA6_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA7-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA7-6h-CLO DHA7-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA8-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA8-6h-CLO DHA8-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
DHA9-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay DHA9-24h-CLO DHA9-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA10-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA10-24h-CLO PCA10-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA1_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA1_6h_CL PCA1_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA2_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA2_6h_CL PCA2_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA3_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA3_6h_CL PCA3_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA4_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA4_24h_CL PCA4_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA5_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA5_24h_CL PCA5_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA6_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA6_24h_CL PCA6_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA7-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA7-6h-CLO PCA7-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA8-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA8-6h-CLO PCA8-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PCA9-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PCA9-24h-CLO PCA9-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO10-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO10-24h-CLO PRO10-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO1_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO1_6h_CL PRO1_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO2_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO2_6h_CL PRO2_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO3_6h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO3_6h_CL PRO3_6h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO4_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO4_24h_CL PRO4_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO5_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO5_24h_CL PRO5_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO6_24h_CL Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO6_24h_CL PRO6_24h_CL.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO7-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO7-6h-CLO PRO7-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO8-6h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO8-6h-CLO PRO8-6h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
PRO9-24h-CLO Extraction lipid-soluble extract NMR sample 5 mm standard CDCL3 300 kelvin CHEBI:hydrogen molecular entity NMR spectroscopy Bruker AVANCE II 600 MHz spectrometer 5 mm PATXI 1H/D-13C/15N Z-GRD 32 1D NOESY with presaturation and spoil gradients (noesygppr1d) 14.1 Tesla acqus.txt NMR assay PRO9-24h-CLO PRO9-24h-CLO.rar Data transformation Metabolite identification m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv
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C4-24h-MET.rar
a_pathway_metabolite_profiling_NMR_spectroscopy.txt
C1-6h-MET.rar
C2-6h-MET.rar
C3_6h_CL.rar
C1_6h_CL.rar
C10-24h-MET.rar
C2_6h_CL.rar
C3-6h-MET.rar
C4_24h_CL.rar
C10-24h-CLO.rar
C5_24h_CL.rar
C6-24h-MET.rar
C6_24h_CL.rar
C5-24h-MET.rar
C7-6h-CLO.rar
C8-6h-CLO.rar
C7-6h-MET.rar
C8-6h-MET.rar
C9-24h-CLO.rar
C9-24h-MET.rar
DHA+PCA10-24h-CLO.rar
DHA+PCA1_6h_CL.rar
DHA+PCA2_6h_CL.rar
DHA+PCA6_24h_CL.rar
DHA+PCA3_6h_CL.rar
DHA+PCA5_24h_CL.rar
DHA+PCA7-6h-CLO.rar
DHA+PCA4_24h_CL.rar
DHA+PCA8-6h-CLO.rar
DHA+PCA9-24h-CLO.rar
DHA+PRO10-24h-CLO.rar
DHA+PRO2_6h_CL.rar
DHA+PRO1_6h_CL.rar
DHA+PRO3_6h_CL.rar
DHA+PRO4_24h_CL.rar
DHA+PRO7-6h-CLO.rar
DHA+PRO5_24h_CL.rar
DHA+PRO8-6h-CLO.rar
DHA+PRO6_24h_CL.rar
DHA+PRO9-24h-CLO.rar
DHA-PCA1-6h-MET.rar
DHA-PCA10-24h-MET(9).rar
DHA-PCA3-6h-MET.rar
DHA-PCA2-6h-MET.rar
DHA-PCA4-24h-MET.rar
DHA-PCA5-24h-MET.rar
DHA-PCA6-24h-MET.rar
DHA-PCA7-6h-MET.rar
DHA-PRO1-6h-MET.rar
metexplore_mapping.json
DHA-PCA8-6h-MET.rar
DHA-PRO3-6h-MET.rar
i_Investigation.txt
DHA-PRO4-24h-MET.rar
DHA-PRO5-24h-MET.rar
DHA-PRO6-24h-MET.rar
DHA-PRO8-6h-MET.rar
DHA1-6h-MET.rar
DHA10-24h-CLO.rar
DHA-PRO7-6h-MET.rar
DHA3_6h_CL.rar
DHA3-6h-MET.rar
DHA2_6h_CL.rar
DHA2-6h-MET.rar
DHA10-24h-MET(9).rar
DHA1_6h_CL.rar
DHA4-24h-MET.rar
DHA4_24h_CL.rar
DHA5-24h-MET.rar
DHA5_24h_CL.rar
DHA6-24h-MET.rar
DHA6_24h_CL.rar
DHA7-6h-CLO.rar
DHA7-6h-MET.rar
DHA8-6h-CLO.rar
DHA8-6h-MET.rar
DHA9-24h-CLO.rar
DHA9-24h-MET.rar
s_Pathway.txt
PCA1-6h-MET.rar
PCA10-24h-CLO.rar
PCA10-24h-MET.rar
PCA1_6h_CL.rar
PCA2-6h-MET.rar
PCA2_6h_CL.rar
PCA3-6h-MET.rar
PCA3_6h_CL.rar
PCA4-24h-MET.rar
PCA4_24h_CL.rar
PCA5-24h-MET.rar
PCA5_24h_CL.rar
PCA6-24h-MET.rar
PCA6_24h_CL.rar
PCA7-6h-CLO.rar
PCA7-6h-MET.rar
PCA8-6h-MET.rar
PCA8-6h-CLO.rar
PCA9-24h-CLO.rar
PCA9-24h-MET.rar
PRO1-6h-MET.rar
PRO10-24h-CLO.rar
PRO2-6h-MET.rar
PRO2_6h_CL.rar
PRO3-6h-MET.rar
PRO3_6h_CL.rar
PRO4-24h-MET.rar
PRO4_24h_CL.rar
PRO5-24h-MET.rar
PRO6-24h-MET.rar
PRO5_24h_CL.rar
PRO7-6h-CLO.rar
PRO6_24h_CL.rar
PRO8-6h-MET.rar
PRO7-6h-MET.rar
PRO8-6h-CLO.rar
PRO9-24h-CLO.rar
DHA-PRO10-24h-MET(9).rar
DHA-PRO2-6h-MET.rar
PRO10-24h-MET(9).rar
PRO1_6h_CL.rar
acqus.txt
m_pathway_metabolite_profiling_NMR_spectroscopy_v2_maf.tsv

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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 NMR sample protocol description MANDATORY PROTOCOLS OK
PASSES NMR spectroscopy protocol description MANDATORY PROTOCOLS OK
PASSES NMR assay 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)