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. Author manuscript; available in PMC: 2020 May 3.
Published in final edited form as: J Proteome Res. 2019 Apr 1;18(5):2004–2011. doi: 10.1021/acs.jproteome.8b00774

TABLE III:

Identified Metabolites Differentiating Carnitine-treated 1-year Survivors from Non-survivors

HMDB ID Adduct (observed) m/z (observed) RT (min) FDR-adjusted p value
Endogenous
N-Acetyl-L-phenylalanine 0000512 M+H 163.0355 3.37 0.0000
Adipoyl-L-carnitine 0028747 M+H 290.1436 2.48 0.0001
Fibrinopeptide A C0952* M+H 768.8494 9.12 0.0005
N-(3-acetamidopropyl)pyrrolidin-2-one 0061384 185.128028 3.8417 0.0008
N,N-dimethylguanosine 0004824 M+H 312.1302 3.56 0.0078
Phenylalanyl-tyrosine 0029007 M+H 329.153524 21.445 0.0105
Glucosamine 0001514 M+H 180.0875 3.560 0.0171
isoleucyl-proline / leucyl proline 0028908/0011175 229.154547 1.3083 0.0171
Allysine 0001263 M+Na 168.063352 1.7559 0.0187
N-Methyl-phenylalanine 0029224 M+H 142.9403 0.89 0.0218
Methoxytryptophol 0001896 M+H 192.104478 5.0838 0.0254
Histamine 0000870 M+Na 134.0687 3.165 0.0376
Pantetheine 0003426 M+H 279.1389 7.931 0.0475
Exogenous/drug-related
Pirbuterol 0015407 M+H 241.1543 1.49 0.0218

HMDB ID: human metabolomics database entry number (http://www.hmdb.ca/).

*

KEGG ID, no HMDB ID available.

All features were identified either by MS/MS spectral match with NIST 2017 MS/MS library or by accurate mass and retention time match with authentic standard in local metabolite library.