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Details of Benzoic acid, (1TMS)

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Role Analyte
nameBenzoic acid, (1TMS)
MPIMP IDA128003
isotopomerambient
formulaC10H14O2Si
molecular mass194.303
monoisotopic mass194.07631
InChIInChI=1S/C10H14O2Si/c1-13(2,3)12-10(11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyVFFKJOXNCSJSAQ-UHFFFAOYSA-N
substructure TMS 
substructure TBS0
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,250.39
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2717b178c8-9728-450b-a13a-7ccc5fc301c9%27)

Synonyms of Benzoic acid, (1TMS)

propertyvalue
ChemSpider ID67512
PubChem CID74955
synonymBenzoic acid, (1TMS)
3 synonym(s)

Metabolite mapped to Benzoic acid, (1TMS)

Reference spectra of Benzoic acid, (1TMS)

replicaentry datedetectionmethodspecies
203/30/2011 4:52:37 PM Fiehn_GC_2010 
15/1/2001 12:00:00 AM M[EIGTMS]Saccharomyces cerevisiae
218/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
211/26/2004 12:00:00 AM M[FAME4090]Standard
35/12/2005 12:00:00 AM M[NIST] 
48/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
59/11/2005 12:00:00 AM M[FAME4090]Standard
65/12/2005 12:00:00 AM M[NIST] 
75/1/2001 12:00:00 AM M[EIGTMS]Arabidopsis thaliana
88/1/2001 12:00:00 AM M[2]Standard
18 spectrum(a)
compound timestamp information
deposited at 3/12/2008 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 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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