Summary of Study ST001037

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR000694. The data can be accessed directly via it's Project DOI: 10.21228/M8ZT2M This work is supported by NIH grant, U2C- DK119886.


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Study IDST001037
Study TitleHigh Resolution GC-MS and FID Metabolomics of Human Serum
Study TypeHuman Serum Analysis
Study SummaryWe explored the possibility of performing quantitative metabolomics using a QEGC-MS using both FID and MS detectors as complementary techniques.
Wake Forest Baptist Medical Center
DepartmentCenter for Precision Medicine
LaboratoryMichael Olivier Laboratory
Last NameMisra
First NameBiswapriya
AddressMedical Center Boulevard NRC Building, G#43, Medical Center Boulevard, Winston Salem, NC, 27157, USA
Submit Date2018-08-13
Total Subjects1
Num Males1
Study CommentsNA
PublicationsIn process
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailGC-MS
Release Date2019-01-22
Release Version1
Biswapriya Misra Biswapriya Misra application/zip

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Project ID:PR000694
Project DOI:doi: 10.21228/M8ZT2M
Project Title:High Resolution GC-MS and FID Metabolomics of Human Serum
Project Type:Method Development in Metabolomics
Project Summary:We explored the combination of MS and FID detector as dual approach to obtain quantitative metabolomics data on a QE-GC-Orbitrap-MS platform.
Institute:Wake Forest Baptist Medical Center
Department:Center for Precision Medicine
Laboratory:Michael Olivier Laboratory
Last Name:Misra
First Name:Biswapriya
Address:Medical Center Boulevard NRC Building, G#43, Medical Center Boulevard, Winston Salem, NC, 27157, USA
Funding Source:NA
Project Comments:NA
Publications:In process
Contributors:Biswapriya B. Misra, Ekong Bassey, Michael Olivier


Subject ID:SU001076
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Genotype Strain:NA
Age Or Age Range:NA
Human Race:NA


Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Description
SA069385R3Reagent Blank
SA069386R1Reagent Blank
SA069387R2Reagent Blank
SA069388S5_3Serum Sample
SA069389S4_1Serum Sample
SA069390S3_3Serum Sample
SA069391S4_2Serum Sample
SA069392S4_3Serum Sample
SA069393S5_2Serum Sample
SA069394S5_1Serum Sample
SA069395S3_2Serum Sample
SA069396S2_1Serum Sample
SA069397S3_1Serum Sample
SA069398S1_1Serum Sample
SA069399S1_3Serum Sample
SA069400S1_2Serum Sample
SA069401S2_2Serum Sample
SA069402S2_3Serum Sample
Showing results 1 to 24 of 24


Collection ID:CO001070
Collection Summary:Purchased Serum from Sigma Aldrich.
Sample Type:Human Serum from Commercial Source
Collection Method:NA
Storage Conditions:-80℃


Treatment ID:TR001090
Treatment Summary:None.

Sample Preparation:

Sampleprep ID:SP001083
Sampleprep Summary:Serum samples (30 µL) were subjected to sequential solvent extraction once each with 1 mL of acetonitrile: isopropanol: water (3:3:2, v/v) ratio and 500 µL of acetonitrile: water (1:1, v/v) ratio mixtures at 4 C.22 Adonitol and d4-succinic acid (both 5 µL from 10 mg/ml stock) were added to each aliquots as two internal standards prior to the extraction. The pooled extracts (~ 1500 µL) from the two steps were dried under vacuum at 4 C prior to chemical derivatization. Dummy extractions performed on blank tubes served as extraction blanks to account for background (extraction solvent, derivatization reagents) noise and other sources of contamination (septa, liner, column, vials, handling etc.). Blanks were only used to see that no carry overs occurred during randomized run orders and to manually filter out contaminating chemicals from the combined list of features. Samples were then sequentially derivatized with methoxyamine hydrochloride (MeOX) and 1% TMCS in N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) as described elsewhere.23,24 Steps involved addition of 10 μL of MeOX (20 mg/mL) in pyridine incubated under shaking at 55 °C for 60 min followed by trimethylsilylation at 60 °C for 60 min after adding 90 μL MSTFA.
Sampleprep Protocol ID:Fiehn et al., 2008
Sampleprep Protocol Comments:NA
Processing Method:Fiehn et al., 2008
Processing Storage Conditions:On ice
Extraction Method:Fiehn et al., 2008
Extract Enrichment:None
Extract Cleanup:None
Sample Resuspension:NA
Sample Derivatization:Methoxyaminatin + silylation (MSTFA)
Sample Spiking:Adonitol
Subcellular Location:NA

Combined analysis:

Analysis ID AN001698
Analysis type MS
Chromatography type GC
Chromatography system QEOrbitrap-GC-MS
Column TraceGOLD TG-5SILMS
MS Type EI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Units Abundance


Chromatography ID:CH001197
Chromatography Summary:A robotic arm TriPlus™ RSH autosampler (Thermo Scientific™, Bremen, Germany) injected 1µL of derivatized sample into a split/splitless (SSL) injector at 250 °C using a 1:100 split flow on TRACE™ 1310 gas chromatograph (Thermo Scientific™, Austin, TX). Helium carrier gas at a flow rate of 1 mL/min was used for separation on a Thermo Scientific™ TraceGOLD™ TG-5SILMS 30 m length × 0.25 mm i.d. × 0.25 µm film thickness column. The initial oven temperature was held at 70 °C for 4 min, followed by an initial gradient of 20 °C/min ramp rate. The final temperature was 320 °C and held for 8 min.
Instrument Name:QEOrbitrap-GC-MS
Column Name:TraceGOLD TG-5SILMS
Chromatography Type:GC


MS ID:MS001573
Analysis ID:AN001698
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:EI
Fragmentation Method:EI
Helium Flow:1 ml/min
Ion Source Temperature:250