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MB Sample ID: SA254989

Local Sample ID:AS_29
Subject ID:SU002635
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:Male and female

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Combined analysis:

Analysis ID AN004170
Analysis type MS
Chromatography type HILIC
Chromatography system Agilent 1200
Column Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um)
MS Type ESI
MS instrument type QTOF
MS instrument name Agilent 6545 QTOF
Ion Mode NEGATIVE
Units ng/ml

MS:

MS ID:MS003917
Analysis ID:AN004170
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Negative mode LC-MS data were collected in centroid mode with a scan range of 50 to 1700 mass-to-charge ratio (m/z) and an acquisition rate of 1.2 spectra/s. Samples were analyzed in the same analytical batch and randomized with a quality control every five samples. Authentic standards were also run to generate the library for targeted analysis. Level 1 metabolite identification [according to the Metabolite Standard Initiative] was based on matching accurate mass, retention time, and tandem MS (MS/MS) spectra to the 550 authentic standards in the MA in-house library. Metabolite abundance based on area under the curve (AUC) was obtained using Agilent Masshunter Quantitative Analysis B 0.7.00. Statistical analysis was performed applying the web-based platform MetaboAnalyst applying no missing value imputation, normalization to median peak area, and no scaling or transformation. RAW_FILE_NAME=AS_01.mzML to AS_35.mzML refer to metabolite detection of short-chain fatty acids, and RAW_FILE_NAME=AS_001.mzML to AS_035.mzML refer the polar metabolites.
Ion Mode:NEGATIVE
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