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Details of Benzoic acid, 3,4-dihydroxy- (3TMS)

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Role Analyte
nameBenzoic acid, 3,4-dihydroxy- (3TMS)
MPIMP IDA183004
isotopomerambient
formulaC16H30O4Si3
molecular mass370.664
monoisotopic mass370.14519
InChIInChI=1S/C16H30O4Si3/c1-21(2,3)18-14-11-10-13(16(17)20-23(7,8)9)12-15(14)19-22(4,5)6/h10-12H,1-9H3
InChIKeyDVAGRNBRUDZPDF-UHFFFAOYSA-N
substructure TMS 
substructure TBS0
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,812.68
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2779e88e8b-5e5a-4775-a5e5-ed446a2b546a%27)

Synonyms of Benzoic acid, 3,4-dihydroxy- (3TMS)

propertyvalue
ChemSpider ID453626
PubChem CID520055
2 synonym(s)

Metabolite mapped to Benzoic acid, 3,4-dihydroxy- (3TMS)

Reference spectra of Benzoic acid, 3,4-dihydroxy- (3TMS)

replicaentry datedetectionmethodspecies
73/30/2011 4:52:37 PM Fiehn_GC_2010 
108/28/2012 5:51:49 PM MassBank GC 2010 Ara 
98/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
88/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
15/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
611/3/2010 4:21:24 PM Schomburg_GC_2010 
53/19/2010 9:06:35 AM VAR5Arabidopsis Thaliana
116/5/2013 12:39:00 PM MRI_2013 
37/19/2007 11:16:30 AM VAR5Reference Substance
47/19/2007 11:16:30 AM MDN35Reference Substance
10 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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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