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MB Sample ID: SA069405

Local Sample ID:P2
Subject ID:SU001076
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Genotype Strain:NA
Age Or Age Range:NA
Gender:Male
Human Race:NA

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Subject:

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

Factors:

Local Sample IDMB Sample IDFactor Level IDLevel ValueFactor Name
P2SA069405FL011117SolventDescription

Collection:

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

Treatment:

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
Ion Mode POSITIVE
Units Abundance

Chromatography:

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:

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