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Details of Gallic acid (4TMS)

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Role Analyte
nameGallic acid (4TMS)
MPIMP IDA196011
isotopomerambient
formulaC19H38O5Si4
molecular mass458.844
monoisotopic mass458.17963
InChIInChI=1S/C19H38O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13-14H,1-12H3
InChIKeyKCIFUQKNKZTHGI-UHFFFAOYSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,945.87
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279cd80bb6-3607-4884-b3e8-e5a3e4940743%27)

Synonyms of Gallic acid (4TMS)

Metabolite mapped to Gallic acid (4TMS)

metabolitestereoisomerisotopomer
Gallic acid  ambient
1 metabolite(s)

Reference spectra of Gallic acid (4TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
118/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
103/30/2011 4:52:37 PM Fiehn_GC_2010 
410/24/2003 12:00:00 AM M[2]Reference Substance
59/14/2004 12:00:00 AM M[2]Reference Substance
65/12/2005 12:00:00 AM M[NIST] 
75/12/2005 12:00:00 AM M[NIST] 
126/5/2013 12:39:00 PM MRI_2013 
8 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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