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Details of Benzoic acid, 2,5-dihydroxy- (3TMS)

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Role Analyte
nameBenzoic acid, 2,5-dihydroxy- (3TMS)
MPIMP IDA177017
isotopomerambient
formulaC16H30O4Si3
molecular mass370.664
monoisotopic mass370.14519
InChIInChI=1S/C16H30O4Si3/c1-21(2,3)18-13-10-11-15(19-22(4,5)6)14(12-13)16(17)20-23(7,8)9/h10-12H,1-9H3
InChIKeyUBHIYVHURJXNOQ-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,770.16
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27295f35fd-e10d-494f-b247-c5481dc38e0e%27)

Synonyms of Benzoic acid, 2,5-dihydroxy- (3TMS)

propertyvalue
ChemSpider ID454255
PubChem CID520779
synonym[3469] gentisic acid [16.123]
synonymB000156
synonymBenzoic acid, 2,5-dihydroxy- (3TMS)
5 synonym(s)

Metabolite mapped to Benzoic acid, 2,5-dihydroxy- (3TMS)

Reference spectra of Benzoic acid, 2,5-dihydroxy- (3TMS)

replicaentry datedetectionmethodspecies
53/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
48/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
4 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 5/29/2013 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J., Kopka J.
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