Metabolomics Workbench : NIH Data Repository

MB Sample ID: SA204632

Local Sample ID:	F8
Subject ID:	SU002217
Subject Type:	Mammal
Subject Species:	Papio hamadryas
Taxonomy ID:	9557

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Subject:

Subject ID:	SU002217
Subject Type:	Mammal
Subject Species:	Papio hamadryas
Taxonomy ID:	9557

Factors:

Local Sample ID	MB Sample ID	Factor Level ID	Level Value	Factor Name
F8	SA204632	FL025116	Nistplasma	type

Collection:

Collection ID:	CO002210
Collection Summary:	The NIST plasma metabolomics dataset consisted of 150 replicate samples which were bought from commercial vendors. The 12 batched datasets were pooled, aligned, and processed using open source software MS-DIAL (v4.6). The second dataset was generated from metabolic profiling of 45 baboon plasma samples collected from 35 females in the age range of 6-23 years and 10 males in the same age range. All 45 plasma samples were analyzed using an untargeted EI-GC-MS approach as described above. The third dataset consists of another EI-GC-MS analysis of metabolites extracted from 47 liver biopsy samples collected from the same adult healthy baboons as the plasma which included 39 females and 8 males in the age range of 6-23 years.
Sample Type:	Liver

Treatment:

Treatment ID:	TR002229
Treatment Summary:	For the baboon study, normal life course baboons were fed control chow diet

Sample Preparation:

Sampleprep ID:	SP002223
Sampleprep Summary:	15 μL of plasma or liver samples were subjected to sequential solvent extraction, once each with 1 mL of acetonitrile: isopropanol: water (3:3:2) and 500 μL of acetonitrile: water (1:1) mixtures at 4°C [14]. An internal standard, adonitol (2 μL from 10 mg/ml stock) was added to each aliquot prior to the extraction. The extracts were dried under vacuum at 4°C prior to chemical derivatization (silylation reactions). Blank tubes without samples, were treated similarly as sample tubes and added to account for background noise and other sources of contamination. Samples and blanks were sequentially derivatized with meth-oxyamine hydrochloride (MeOX) and 1% TMCS in N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) or 1% TMCS containing N-(t-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA) as described elsewhere [15]. Briefly, the steps involved addition of 20 μL of MeOX (20 mg mL-1) in pyridine incu-bated at 55°C for 60 min followed by trimethylsilylation at 60°C for 60 min after adding 80 μL MTBSTFA.

Sampleprep ID:

SP002223

Sampleprep Summary:

15 μL of plasma or liver samples were subjected to sequential solvent extraction, once each with 1 mL of acetonitrile: isopropanol: water (3:3:2) and 500 μL of acetonitrile: water (1:1) mixtures at 4°C [14]. An internal standard, adonitol (2 μL from 10 mg/ml stock) was added to each aliquot prior to the extraction. The extracts were dried under vacuum at 4°C prior to chemical derivatization (silylation reactions). Blank tubes without samples, were treated similarly as sample tubes and added to account for background noise and other sources of contamination. Samples and blanks were sequentially derivatized with meth-oxyamine hydrochloride (MeOX) and 1% TMCS in N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) or 1% TMCS containing N-(t-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA) as described elsewhere [15]. Briefly, the steps involved addition of 20 μL of MeOX (20 mg mL-1) in pyridine incu-bated at 55°C for 60 min followed by trimethylsilylation at 60°C for 60 min after adding 80 μL MTBSTFA.

Combined analysis:

Analysis ID	AN003487
Analysis type	MS
Chromatography type	GC
Chromatography system	Thermo Trace 1310
Column	Thermo Scientific Trace GOLD TG-5SIL-MS
MS Type	EI
MS instrument type	QTRAP
MS instrument name	Thermo Q Exactive Orbitrap
Ion Mode	POSITIVE
Units	Normalized Peak abundances

Chromatography:

Chromatography ID:	CH002574
Instrument Name:	Thermo Trace 1310
Column Name:	Thermo Scientific Trace GOLD TG-5SIL-MS
Chromatography Type:	GC

MS:

MS ID:	MS003248
Analysis ID:	AN003487
Instrument Name:	Thermo Q Exactive Orbitrap
Instrument Type:	QTRAP
MS Type:	EI
MS Comments:	Data acquisition and instrument control were carried out using Xcalibur 4.3 and Trace-Finder 4.1 softwares MS-DIAL
Ion Mode:	POSITIVE