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MB Sample ID: SA182029

Local Sample ID:SZ60
Subject ID:SU002015
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

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Combined analysis:

Analysis ID AN003150
Analysis type MS
Chromatography type Unspecified
Chromatography system Thermo Trace 1310/Dionex UltiMate 3000 UHPLC
Column TG-5MS
MS Type EI/ESI
MS instrument type Triple quadrupole/Orbitrap
MS instrument name Thermo TSQ 8000/Thermo Q Exactive Orbitrap
Ion Mode POSITIVE
Units peak height

MS:

MS ID:MS002930
Analysis ID:AN003150
Instrument Name:Thermo TSQ 8000/Thermo Q Exactive Orbitrap
Instrument Type:Triple quadrupole/Orbitrap
MS Type:EI/ESI
MS Comments:The raw data files from LC-MS were converted into Analysis Base File (ABF) format by Abf Converter (http://www.reifycs.com/AbfConverter). Then, using the open-source program MS-Dial v.4.24 15, the automatic peak selecting, integration, retention time adjustment by the aforementioned database, and alignment were performed. The retention time index (RI) tolerance in GC-MS was 3,000, while the peak height threshold was 10,000. In LC-MS, the peak height threshold was 1,000,000 in positive ion mode and 500,000 in negative ion mode. The resultant output data table of high quality time-aligned investigated metabolites, together with their related RT, m/z, and peak height acquired for each sample, was statistically analyzed. All metabolite identifications were manually double-checked.
Ion Mode:POSITIVE
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