Metabolomics Workbench : NIH Data Repository

MB Sample ID: SA081583

Local Sample ID:	C4_d1
Subject ID:	SU001242
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606

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Subject:

Subject ID:	SU001242
Subject Type:	Human
Subject Species:	Homo sapiens
Taxonomy ID:	9606

Factors:

Local Sample ID	MB Sample ID	Factor Level ID	Level Value	Factor Name
C4_d1	SA081583	FL012442	Asymptomatic	Outcome
C4_d1	SA081583	FL012442	day 1	Day post-vaccination

Collection:

Collection ID:	CO001236
Collection Summary:	Plasma collected from subjects in EDTA-treated tubes before (day 0) and 1 day post-YF17D vaccination
Sample Type:	Blood (plasma)

Treatment:

Treatment ID:	TR001257
Treatment Summary:	Subjects were all given the YF17D vaccine, of which 6 were asymptomatic and 7 were symptomatic after vaccination. Plasma was collected before (day 0) and 1 day post-YF17D vaccination

Sample Preparation:

Sampleprep ID:	SP001250
Sampleprep Summary:	CE-MS/MS profiling was conducted by Basic Scan package of Human Metabolome Technologies (HMT) using capillary electrophoresis time-of-flight mass spectrometry (CE-TOFMS).Briefly, CE-TOFMS analysis was carried out using an Agilent CE capillary electrophoresis system equipped with an Agilent 6210 time-of-flight mass spectrometer, Agilent 1100 isocratic HPLC pump, Agilent G1603A CE-MS adapter kit, and Agilent G1607A CE-ESI-MS sprayer kit (Agilent Technologies, Waldbronn, Germany). The systems were controlled by Agilent G2201AA ChemStation software version B.03.01 for CE (Agilent Technologies) and connected by a fused silica capillary (50 μm i.d. × 80 cm total length) with commercial electrophoresis buffer (H3301-1001 and H3302-1021 for cation and anion analyses, respectively, HMT) as the electrolyte. The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using MasterHands, automatic integration software (Keio University, Tsuruoka, Yamagata, Japan) in order to obtain peak information including m/z, peak area, and migration time (MT)43. Signal peaks corresponding to isotopomers, adduct ions, and other product ions of known metabolites were excluded, and remaining peaks were annotated according to the HMT metabolite database based on their m/z values with the MTs. Areas of the annotated peaks were then normalized based on internal standard levels and sample volumes in order to obtain relative levels of each metabolite.

Sampleprep ID:

SP001250

Sampleprep Summary:

CE-MS/MS profiling was conducted by Basic Scan package of Human Metabolome Technologies (HMT) using capillary electrophoresis time-of-flight mass spectrometry (CE-TOFMS).Briefly, CE-TOFMS analysis was carried out using an Agilent CE capillary electrophoresis system equipped with an Agilent 6210 time-of-flight mass spectrometer, Agilent 1100 isocratic HPLC pump, Agilent G1603A CE-MS adapter kit, and Agilent G1607A CE-ESI-MS sprayer kit (Agilent Technologies, Waldbronn, Germany). The systems were controlled by Agilent G2201AA ChemStation software version B.03.01 for CE (Agilent Technologies) and connected by a fused silica capillary (50 μm i.d. × 80 cm total length) with commercial electrophoresis buffer (H3301-1001 and H3302-1021 for cation and anion analyses, respectively, HMT) as the electrolyte. The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using MasterHands, automatic integration software (Keio University, Tsuruoka, Yamagata, Japan) in order to obtain peak information including m/z, peak area, and migration time (MT)43. Signal peaks corresponding to isotopomers, adduct ions, and other product ions of known metabolites were excluded, and remaining peaks were annotated according to the HMT metabolite database based on their m/z values with the MTs. Areas of the annotated peaks were then normalized based on internal standard levels and sample volumes in order to obtain relative levels of each metabolite.

Combined analysis:

Analysis ID	AN001952
Analysis type	MS
Chromatography type	CE
Chromatography system	Agilent 6210
Column	Agilent capillary electrophoresis system
MS Type	ESI
MS instrument type	CE-TOFMS
MS instrument name	Agilent 6210 TOF
Ion Mode	UNSPECIFIED
Units	uM

Chromatography:

Chromatography ID:	CH001415
Chromatography Summary:	CEMS conducted by Basic Scan package of Human Metabolome 239 Technologies (HMT)
Instrument Name:	Agilent 6210
Column Name:	Agilent capillary electrophoresis system
Chromatography Type:	CE

MS:

MS ID:	MS001807
Analysis ID:	AN001952
Instrument Name:	Agilent 6210 TOF
Instrument Type:	CE-TOFMS
MS Type:	ESI
MS Comments:	The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using MasterHands, automatic integration software (Keio University, Tsuruoka, Yamagata, Japan) in order to obtain peak information including m/z, peak area, and migration time (MT)43. Signal peaks corresponding to isotopomers, adduct ions, and other product ions of known metabolites were excluded, and remaining peaks were annotated according to the HMT metabolite database based on their m/z values with the MTs. Areas of the annotated peaks were then normalized based on internal standard levels and sample volumes in order to obtain relative levels of each metabolite. Partial least square discriminant analysis was performed by HMT’s proprietary software, PeakStat and SampleStat, respectively. Pathway analysis is performed by MetaboAnalyst 4.0.
Ion Mode:	UNSPECIFIED