MTBLS298: Genome-scale study reveals reduced metabolic adaptability in patients with non-alcoholic fatty liver disease

Abstract

Non-alcoholic fatty liver disease (NAFLD) is a major risk factor leading to chronic liver disease and type 2 diabetes. Here we chart liver metabolic activity and functionality in NAFLD by integrating global transcriptomic data, from human liver biopsies, and metabolic flux data, measured across the human splanchnic vascular bed, within a genome-scale model of human metabolism. We show that an increased amount of liver fat induces mitochondrial metabolism, lipolysis, glyceroneogenesis and a switch from lactate to glycerol as substrate for gluconeogenesis, indicating an intricate balance of exacerbated opposite metabolic processes in glycemic regulation. These changes were associated with reduced metabolic adaptability on a network level in the sense that liver fat accumulation puts increasing demands on the liver to adaptively regulate metabolic responses to maintain basic liver functions. We propose that failure to meet excessive metabolic challenges coupled with reduced metabolic adaptability may lead to a vicious pathogenic cycle leading to the co-morbidities of NAFLD.

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 Authors: Matej Oresic

  Release date: 15-Dec-2016

 Status: Public

Organism(s)

Homo sapiens

  Study Design

EFO:non-alcoholic fatty liver disease

NCIT:Catheterization

CHMO:two-dimensional chromatography

CHMO:gas chromatography-mass spectrometry

untargeted metabolites

  Experimental Factors

liver fat

Replicate

low dose insulin infusion

serum type

Patient

Protocol Description
Sample collection The subjects were studied after an overnight fast. Three intravenous cannulas were inserted as described earlier5. Shortly, the first was inserted in an antecubital vein for infusions of saline (first 90 min), glucose, insulin, and potassium-[2,2-2H2]palmitate, the second was inserted in a contralateral arm and the third catheter was inserted percutaneously under local anaesthesia into a femoral vein. Hepatic blood flow was measured using a constant i.v. infusion of indocyanine green (ICG). Plasma glucose was maintained at 5 mmol/liter (90 mg/dl) until 240 min using a variable rate infusion of 20% glucose. Potassium-[2,2-2H2]palmitate bound to human albumin was infused at a rate of 0.05 µmol/kg/min starting at 30 min to trace FFA and TG metabolism in vivo. Hepatic blood flow was measured at 90, 100, 110, 120, 200, 220, 240 min. During the saline and insulin infusion, arterialized and hepatic vein plasma samples were taken at 10-60 min intervals.

The fat content of the liver biopsy specimens (% of hepatocytes with macrovesicular steatosis) was determined by an experienced liver pathologist in a blinded fashion. The % of macrovesicular steatosis was used as the liver fat %.
Extraction Each serum sample (20 µl) was spiked with internal standard (20 µl labeled palmitic acid, c=258 mg/l) and the mixture was then extracted with 400 µl of methanol. After centrifugation the supernatant was evaporated to dryness and the original metabolites were then converted into their methoxime and trimethylsilyl derivative(s) by two-step derivatization. First, 25 µl methoxamine reagent was added to the residue and the mixture was incubated for 60 min at 45 °C. Next, 25 µl N-Methyl-N-(trimethylsilyl) trifluoroacetamide was added and the mixture was incubated for 60 min at 45 ºC. Finally, retention index standard mixture (n-alkanes) in hexane was added to the mixture.
Chromatography Leco Pegasus 4D GC×GC-TOFMS instrument (Leco Corp., St. Joseph, MI) equipped with a cryogenic modulator was used. The GC part of the instrument was an Agilent 6890 gas chromatograph (Agilent Technologies, Palo Alto, CA), equipped with split/splitless injector. The first-dimension chromatographic column was a 10 m RTX-5 capillary column with an internal diameter of 0.18 mm and a stationary-phase film thickness of 0.20 µm, and the second-dimension chromatographic column was a 1.5 m BPX-50 capillary column with an internal diameter of 100 µm and a film thickness of 0.1 µm. A diphenyltetramethyldisilazane deactivated retention gap (3 m x 0.53 mm i.d.) was used in the front of the first column. High-purity helium was used as the carrier gas at a constant pressure mode (39.6 psig). A 5 s separation time was used in the second dimension.
Mass spectrometry The mass spectra were recorded by electron ionization (EI) at 70 eV in the m/z range of 45 – 700 amu with 100 spectra/sec on a Leco Pegasus 4D GC×GC-TOFMS instrument. Split injection (1 µl, split ratio 1:20) at 260 °C was used. The temperature program was as follows: the first-dimension column oven ramp began at 50 °C with a 1 min hold after which the temperature was programmed to 295 °C at a rate of 10 °C/min and then held at this temperature for 3 min. The second-dimension column temperature was maintained 20 °C higher than the corresponding first-dimension column. The programming rate and hold times were the same for the two columns.
Data transformation Data transformation The original GC×GC-TOFMS data included retention times, retention indices (RI), spectral information, possible identification, spectral similarity value (S=0-1000) and peak response data. The linear retention indexes were calculated based on the retention times of the compounds and the retention times of the retention index standards (n-alkanes). The data were transferred into an in-house developed program Guineu25. The alignment of the data was done based on the two retention times and spectra. After alignment of the GC×GC-TOFMS data, two filtration criteria were used for positive identification: 1) spectral match < 850 and 2) the RIexp-RIlit < 25 or RIexp-RIstd_exp < 25, in which RIexp is the experimental RI for a compound and RIlit is the literature value for the identified compound and RIstd_exp is the experimental RI value for a standard compound. Compounds not fulfilling the criteria were renamed to unknowns and were subjected to further identification.

Calibration curves (six points, c=15-2000 ng, cholesterol c=170-6000 ng) were constructed for the following compounds: pyruvic acid, alanine, 3-hydroxybutyric acid, valine, leucine, isoleucine, proline, glycine, succinic acid, fumaric acid, serine, threonine, malic acid, methionine, aspartic acid, alpha-ketoglutaric acid, phenylalanine, glutamic acid, ornithine, citric acid, tyrosine, palmitic acid, linoleic acid, oleic acid, stearic acid, arachidonic acid, and cholesterol.
Metabolite identification The identification was based on the spectral search from NIST library or the in-house collected library and the retention indices. The compounds for which no spectral match was found by the two libraries, GOLM database (http://gmd.mpimp-golm.mpg.de) was utilized. The database was also used for functional group prediction of the metabolites.
Source Name Organism Organism part Protocol REF Sample Name liver fat Unit Replicate low dose insulin infusion serum type Patient
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl01_GGT3_rep1run1_291009_1 65 percent 1 Basal Artery 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl01_GGT3_rep1run2_291009_1 65 percent 2 Basal Artery 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl05_GGT3_rep1run1_291009_1 70 percent 1 Basal Artery 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl05_GGT3_rep1run2_291009_1 70 percent 2 Basal Artery 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl09_GGT3_rep1run1_291009_1 25 percent 1 Basal Artery 3
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl09_GGT3_rep1run2_291009_1 25 percent 2 Basal Artery 3
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl13_GGT3_rep1run1_291009_1 80 percent 1 Basal Artery 4
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl13_GGT3_rep1run2_291009_1 80 percent 2 Basal Artery 4
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl17_GGT3_rep1run1_291009_1 70 percent 1 Basal Artery 5
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl17_GGT3_rep1run2_291009_1 70 percent 2 Basal Artery 5
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl21_GGT3_rep1run1_291009_1 50 percent 1 Basal Artery 6
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl21_GGT3_rep1run2_291009_1 50 percent 2 Basal Artery 6
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl25_GGT3_rep1run1_291009_1 5 percent 1 Basal Artery 7
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl25_GGT3_rep1run2_291009_1 5 percent 2 Basal Artery 7
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl29_GGT3_rep1run1_291009_1 30 percent 1 Basal Artery 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl29_GGT3_rep1run2_291009_1 30 percent 2 Basal Artery 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl33_GGT3_rep1run1_291009_1 70 percent 1 Basal Artery 9
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl33_GGT3_rep1run2_291009_1 70 percent 2 Basal Artery 9
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl02_GGT3_rep1run1_291009_1 65 percent 1 Basal Vein 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl02_GGT3_rep1run2_291009_1 65 percent 2 Basal Vein 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl06_GGT3_rep1run1_291009_1 70 percent 1 Basal Vein 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl06_GGT3_rep1run2_291009_1 70 percent 2 Basal Vein 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl26_GGT3_rep1run1_291009_1 5 percent 1 Basal Vein 7
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl26_GGT3_rep1run2_291009_1 5 percent 2 Basal Vein 7
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl30_GGT3_rep1run1_291009_1 30 percent 1 Basal Vein 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl30_GGT3_rep1run2_291009_1 30 percent 2 Basal Vein 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl34_GGT3_rep1run1_291009_1 70 percent 1 Basal Vein 9
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl34_GGT3_rep1run2_291009_1 70 percent 2 Basal Vein 9
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl03_GGT3_rep1run1_291009_1 65 percent 1 Insulin Artery 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl03_GGT3_rep1run2_291009_1 65 percent 2 Insulin Artery 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl07_GGT3_rep1run1_291009_1 70 percent 1 Insulin Artery 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl07_GGT3_rep1run2_291009_1 70 percent 2 Insulin Artery 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl11_GGT3_rep1run1_291009_1 25 percent 1 Insulin Artery 3
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl11_GGT3_rep1run2_291009_1 25 percent 2 Insulin Artery 3
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl15_GGT3_rep1run1_291009_1 80 percent 1 Insulin Artery 4
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl15_GGT3_rep1run2_291009_1 80 percent 2 Insulin Artery 4
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl19_GGT3_rep1run1_291009_1 70 percent 1 Insulin Artery 5
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl19_GGT3_rep1run2_291009_1 70 percent 2 Insulin Artery 5
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl23_GGT3_rep1run1_291009_1 50 percent 1 Insulin Artery 6
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl23_GGT3_rep1run2_291009_1 50 percent 2 Insulin Artery 6
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl31_GGT3_rep1run1_291009_1 30 percent 1 Insulin Artery 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl31_GGT3_rep1run2_291009_1 30 percent 2 Insulin Artery 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl35_GGT3_rep1run1_291009_1 70 percent 1 Insulin Artery 9
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl35_GGT3_rep1run2_291009_1 70 percent 2 Insulin Artery 9
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl04_GGT3_rep1run1_291009_1 65 percent 1 Insulin Vein 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl04_GGT3_rep1run2_291009_1 65 percent 2 Insulin Vein 1
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl08_GGT3_rep1run1_291009_1 70 percent 1 Insulin Vein 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl08_GGT3_rep1run2_291009_1 70 percent 2 Insulin Vein 2
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl12_GGT3_rep1run1_291009_1 25 percent 1 Insulin Vein 3
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl12_GGT3_rep1run2_291009_1 25 percent 2 Insulin Vein 3
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl16_GGT3_rep1run1_291009_1 80 percent 1 Insulin Vein 4
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl16_GGT3_rep1run2_291009_1 80 percent 2 Insulin Vein 4
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl20_GGT3_rep1run1_291009_1 70 percent 1 Insulin Vein 5
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl20_GGT3_rep1run2_291009_1 70 percent 2 Insulin Vein 5
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl24_GGT3_rep1run1_291009_1 50 percent 1 Insulin Vein 6
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl24_GGT3_rep1run2_291009_1 50 percent 2 Insulin Vein 6
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl32_GGT3_rep1run1_291009_1 30 percent 1 Insulin Vein 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl32_GGT3_rep1run2_291009_1 30 percent 2 Insulin Vein 8
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl36_GGT3_rep1run1_291009_1 70 percent 1 Insulin Vein 9
Serum batch Homo sapiens blood serum Sample collection 112Vein_pl36_GGT3_rep1run2_291009_1 70 percent 2 Insulin Vein 9

Assay 

Assay file name: a_catheterization_study_metabolite_profiling_mass_spectrometry.txt
Measurement: metabolite profiling
Technology: mass spectrometry
Platform: Leco Pegasus 4D GC×GC-TOFMS

Instrumentation

Sample Name Protocol REF Post Extraction Derivatization Extract Name Protocol REF Chromatography Instrument Column model 1 Column type 1 Guard column Column model 2 Column type 2 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
112Vein_pl01_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl01_GGT3_rep1run1_291009_1 112Vein_pl01_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl01_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl01_GGT3_rep1run2_291009_1 112Vein_pl01_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl05_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl05_GGT3_rep1run1_291009_1 112Vein_pl05_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl05_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl05_GGT3_rep1run2_291009_1 112Vein_pl05_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl09_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl09_GGT3_rep1run1_291009_1 112Vein_pl09_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl09_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl09_GGT3_rep1run2_291009_1 112Vein_pl09_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl13_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl13_GGT3_rep1run1_291009_1 112Vein_pl13_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl13_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl13_GGT3_rep1run2_291009_1 112Vein_pl13_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl17_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl17_GGT3_rep1run1_291009_1 112Vein_pl17_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl17_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl17_GGT3_rep1run2_291009_1 112Vein_pl17_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl21_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl21_GGT3_rep1run1_291009_1 112Vein_pl21_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl21_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl21_GGT3_rep1run2_291009_1 112Vein_pl21_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl25_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl25_GGT3_rep1run1_291009_1 112Vein_pl25_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl25_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl25_GGT3_rep1run2_291009_1 112Vein_pl25_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl29_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl29_GGT3_rep1run1_291009_1 112Vein_pl29_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl29_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl29_GGT3_rep1run2_291009_1 112Vein_pl29_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl33_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl33_GGT3_rep1run1_291009_1 112Vein_pl33_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl33_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl33_GGT3_rep1run2_291009_1 112Vein_pl33_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl02_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl02_GGT3_rep1run1_291009_1 112Vein_pl02_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl02_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl02_GGT3_rep1run2_291009_1 112Vein_pl02_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl06_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl06_GGT3_rep1run1_291009_1 112Vein_pl06_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl06_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl06_GGT3_rep1run2_291009_1 112Vein_pl06_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl26_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl26_GGT3_rep1run1_291009_1 112Vein_pl26_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl26_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl26_GGT3_rep1run2_291009_1 112Vein_pl26_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl30_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl30_GGT3_rep1run1_291009_1 112Vein_pl30_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl30_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl30_GGT3_rep1run2_291009_1 112Vein_pl30_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl34_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl34_GGT3_rep1run1_291009_1 112Vein_pl34_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl34_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl34_GGT3_rep1run2_291009_1 112Vein_pl34_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl03_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl03_GGT3_rep1run1_291009_1 112Vein_pl03_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl03_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl03_GGT3_rep1run2_291009_1 112Vein_pl03_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl07_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl07_GGT3_rep1run1_291009_1 112Vein_pl07_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl07_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl07_GGT3_rep1run2_291009_1 112Vein_pl07_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl11_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl11_GGT3_rep1run1_291009_1 112Vein_pl11_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl11_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl11_GGT3_rep1run2_291009_1 112Vein_pl11_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl15_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl15_GGT3_rep1run1_291009_1 112Vein_pl15_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl15_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl15_GGT3_rep1run2_291009_1 112Vein_pl15_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl19_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl19_GGT3_rep1run1_291009_1 112Vein_pl19_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl19_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl19_GGT3_rep1run2_291009_1 112Vein_pl19_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl23_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl23_GGT3_rep1run1_291009_1 112Vein_pl23_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl23_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl23_GGT3_rep1run2_291009_1 112Vein_pl23_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl31_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl31_GGT3_rep1run1_291009_1 112Vein_pl31_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl31_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl31_GGT3_rep1run2_291009_1 112Vein_pl31_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl35_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl35_GGT3_rep1run1_291009_1 112Vein_pl35_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl35_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl35_GGT3_rep1run2_291009_1 112Vein_pl35_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl04_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl04_GGT3_rep1run1_291009_1 112Vein_pl04_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl04_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl04_GGT3_rep1run2_291009_1 112Vein_pl04_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl08_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl08_GGT3_rep1run1_291009_1 112Vein_pl08_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl08_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl08_GGT3_rep1run2_291009_1 112Vein_pl08_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl12_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl12_GGT3_rep1run1_291009_1 112Vein_pl12_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl12_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl12_GGT3_rep1run2_291009_1 112Vein_pl12_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl16_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl16_GGT3_rep1run1_291009_1 112Vein_pl16_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl16_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl16_GGT3_rep1run2_291009_1 112Vein_pl16_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl20_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl20_GGT3_rep1run1_291009_1 112Vein_pl20_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl20_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl20_GGT3_rep1run2_291009_1 112Vein_pl20_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl24_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl24_GGT3_rep1run1_291009_1 112Vein_pl24_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl24_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl24_GGT3_rep1run2_291009_1 112Vein_pl24_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl32_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl32_GGT3_rep1run1_291009_1 112Vein_pl32_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl32_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl32_GGT3_rep1run2_291009_1 112Vein_pl32_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl36_GGT3_rep1run1_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl36_GGT3_rep1run1_291009_1 112Vein_pl36_GGT3_rep1run1_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
112Vein_pl36_GGT3_rep1run2_291009_1 Extraction Chromatography Agilent 6890 GC Rtx-5 (0.20 µm, 0.18 mm x 10 m; Restek) low polarity diphenyltetramethyldisilazane deactivated retention gap (0.53 mm x 3 m) BPX50 (0.1 µm, 0.1 mm x 1.5 m; SGE) medium polarity NA NA Mass spectrometry positive 45–700 LECO Pegasus 4D electron ionization time-of-flight 112Vein_pl36_GGT3_rep1run2_291009_1 112Vein_pl36_GGT3_rep1run2_291009_1.txt Data transformation Metabolite identification m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
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List of study files   Subset

File
audit
i_Investigation.txt
112Vein_pl02_GGT3_rep1run2_291009_1.txt
112Vein_pl02_GGT3_rep1run1_291009_1.txt
112Vein_pl04_GGT3_rep1run2_291009_1.txt
112Vein_pl07_GGT3_rep1run1_291009_1.txt
112Vein_pl11_GGT3_rep1run2_291009_1.txt
112Vein_pl13_GGT3_rep1run1_291009_1.txt
112Vein_pl08_GGT3_rep1run1_291009_1.txt
112Vein_pl09_GGT3_rep1run2_291009_1.txt
112Vein_pl13_GGT3_rep1run2_291009_1.txt
112Vein_pl06_GGT3_rep1run2_291009_1.txt
112Vein_pl16_GGT3_rep1run1_291009_1.txt
112Vein_pl15_GGT3_rep1run2_291009_1.txt
112Vein_pl21_GGT3_rep1run2_291009_1.txt
112Vein_pl19_GGT3_rep1run2_291009_1.txt
112Vein_pl20_GGT3_rep1run2_291009_1.txt
112Vein_pl23_GGT3_rep1run2_291009_1.txt
112Vein_pl23_GGT3_rep1run1_291009_1.txt
112Vein_pl17_GGT3_rep1run2_291009_1.txt
112Vein_pl21_GGT3_rep1run1_291009_1.txt
112Vein_pl19_GGT3_rep1run1_291009_1.txt
112Vein_pl17_GGT3_rep1run1_291009_1.txt
112Vein_pl16_GGT3_rep1run2_291009_1.txt
112Vein_pl12_GGT3_rep1run2_291009_1.txt
112Vein_pl24_GGT3_rep1run2_291009_1.txt
112Vein_pl26_GGT3_rep1run1_291009_1.txt
metexplore_mapping.json
112Vein_pl26_GGT3_rep1run2_291009_1.txt
112Vein_pl25_GGT3_rep1run1_291009_1.txt
112Vein_pl29_GGT3_rep1run2_291009_1.txt
112Vein_pl03_GGT3_rep1run2_291009_1.txt
112Vein_pl03_GGT3_rep1run1_291009_1.txt
112Vein_pl01_GGT3_rep1run2_291009_1.txt
112Vein_pl01_GGT3_rep1run1_291009_1.txt
112Vein_pl30_GGT3_rep1run2_291009_1.txt
112Vein_pl32_GGT3_rep1run1_291009_1.txt
112Vein_pl15_GGT3_rep1run1_291009_1.txt
112Vein_pl20_GGT3_rep1run1_291009_1.txt
112Vein_pl32_GGT3_rep1run2_291009_1.txt
112Vein_pl33_GGT3_rep1run1_291009_1.txt
112Vein_pl04_GGT3_rep1run1_291009_1.txt
112Vein_pl05_GGT3_rep1run1_291009_1.txt
112Vein_pl06_GGT3_rep1run1_291009_1.txt
112Vein_pl33_GGT3_rep1run2_291009_1.txt
112Vein_pl35_GGT3_rep1run1_291009_1.txt
112Vein_pl35_GGT3_rep1run2_291009_1.txt
112Vein_pl05_GGT3_rep1run2_291009_1.txt
a_catheterization_study_metabolite_profiling_mass_spectrometry.txt
a_xstudy_metabolite_profiling_mass_spectrometry.txt
112Vein_pl08_GGT3_rep1run2_291009_1.txt
112Vein_pl07_GGT3_rep1run2_291009_1.txt
112Vein_pl12_GGT3_rep1run1_291009_1.txt
112Vein_pl09_GGT3_rep1run1_291009_1.txt
112Vein_pl24_GGT3_rep1run1_291009_1.txt
112Vein_pl25_GGT3_rep1run2_291009_1.txt
112Vein_pl31_GGT3_rep1run1_291009_1.txt
112Vein_pl29_GGT3_rep1run1_291009_1.txt
112Vein_pl31_GGT3_rep1run2_291009_1.txt
s_Catheterization study.txt
112Vein_pl30_GGT3_rep1run1_291009_1.txt
112Vein_pl34_GGT3_rep1run2_291009_1.txt
112Vein_pl34_GGT3_rep1run1_291009_1.txt
112Vein_pl36_GGT3_rep1run1_291009_1.txt
112Vein_pl36_GGT3_rep1run2_291009_1.txt
112Vein_pl11_GGT3_rep1run1_291009_1.txt
m_catheterization_study_metabolite_profiling_mass_spectrometry_v2_maf.tsv
validation_report.json

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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 Raw files reported in the Assay(s), are not of valid format or the raw file folders are empty: 112Vein_pl31_GGT3_rep1run1_291009_1.txt, 112Vein_pl21_GGT3_rep1run2_291009_1.txt, 112Vein_pl35_GGT3_rep1run1_291009_1.txt, 112Vein_pl12_GGT3_rep1run1_291009_1.txt, 112Vein_pl23_GGT3_rep1run2_291009_1.txt, 112Vein_pl01_GGT3_rep1run2_291009_1.txt, 112Vein_pl13_GGT3_rep1run2_291009_1.txt, 112Vein_pl29_GGT3_rep1run2_291009_1.txt, 112Vein_pl03_GGT3_rep1run2_291009_1.txt, 112Vein_pl17_GGT3_rep1run1_291009_1.txt, 112Vein_pl24_GGT3_rep1run1_291009_1.txt, 112Vein_pl23_GGT3_rep1run1_291009_1.txt, 112Vein_pl06_GGT3_rep1run2_291009_1.txt, 112Vein_pl11_GGT3_rep1run1_291009_1.txt, 112Vein_pl30_GGT3_rep1run2_291009_1.txt, 112Vein_pl05_GGT3_rep1run2_291009_1.txt, 112Vein_pl33_GGT3_rep1run2_291009_1.txt, 112Vein_pl35_GGT3_rep1run2_291009_1.txt, 112Vein_pl20_GGT3_rep1run1_291009_1.txt, 112Vein_pl25_GGT3_rep1run2_291009_1.txt, 112Vein_pl07_GGT3_rep1run1_291009_1.txt, 112Vein_pl16_GGT3_rep1run1_291009_1.txt, 112Vein_pl09_GGT3_rep1run2_291009_1.txt, 112Vein_pl06_GGT3_rep1run1_291009_1.txt, 112Vein_pl02_GGT3_rep1run2_291009_1.txt, 112Vein_pl34_GGT3_rep1run2_291009_1.txt, 112Vein_pl20_GGT3_rep1run2_291009_1.txt, 112Vein_pl36_GGT3_rep1run1_291009_1.txt, 112Vein_pl24_GGT3_rep1run2_291009_1.txt, 112Vein_pl26_GGT3_rep1run1_291009_1.txt, 112Vein_pl01_GGT3_rep1run1_291009_1.txt, 112Vein_pl11_GGT3_rep1run2_291009_1.txt, 112Vein_pl02_GGT3_rep1run1_291009_1.txt, 112Vein_pl33_GGT3_rep1run1_291009_1.txt, 112Vein_pl16_GGT3_rep1run2_291009_1.txt, 112Vein_pl03_GGT3_rep1run1_291009_1.txt, 112Vein_pl30_GGT3_rep1run1_291009_1.txt, 112Vein_pl15_GGT3_rep1run1_291009_1.txt, 112Vein_pl26_GGT3_rep1run2_291009_1.txt, 112Vein_pl19_GGT3_rep1run2_291009_1.txt, 112Vein_pl25_GGT3_rep1run1_291009_1.txt, 112Vein_pl08_GGT3_rep1run2_291009_1.txt, 112Vein_pl32_GGT3_rep1run1_291009_1.txt, 112Vein_pl04_GGT3_rep1run2_291009_1.txt, 112Vein_pl04_GGT3_rep1run1_291009_1.txt, 112Vein_pl07_GGT3_rep1run2_291009_1.txt, 112Vein_pl08_GGT3_rep1run1_291009_1.txt, 112Vein_pl31_GGT3_rep1run2_291009_1.txt, 112Vein_pl05_GGT3_rep1run1_291009_1.txt, 112Vein_pl21_GGT3_rep1run1_291009_1.txt, 112Vein_pl32_GGT3_rep1run2_291009_1.txt, 112Vein_pl09_GGT3_rep1run1_291009_1.txt, 112Vein_pl34_GGT3_rep1run1_291009_1.txt, 112Vein_pl19_GGT3_rep1run1_291009_1.txt, 112Vein_pl13_GGT3_rep1run1_291009_1.txt, 112Vein_pl15_GGT3_rep1run2_291009_1.txt, 112Vein_pl36_GGT3_rep1run2_291009_1.txt, 112Vein_pl17_GGT3_rep1run2_291009_1.txt, 112Vein_pl29_GGT3_rep1run1_291009_1.txt, 112Vein_pl12_GGT3_rep1run2_291009_1.txt
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)