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Details of Benzoic acid, 2,3,4,5,6-d5- (1TMS)

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Role Analyte
nameBenzoic acid, 2,3,4,5,6-d5- (1TMS)
MPIMP IDA128003
isotopomer2H
formulaC10H9(2H)5O2Si
molecular mass199.000
monoisotopic mass 
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 TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,249.69
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27158ef936-0797-4369-94f7-4ca8e1616d95%27)

Synonyms of Benzoic acid, 2,3,4,5,6-d5- (1TMS)

Metabolite mapped to Benzoic acid, 2,3,4,5,6-d5- (1TMS)

Reference spectra of Benzoic acid, 2,3,4,5,6-d5- (1TMS)

replicaentry datedetectionmethodspecies
107/19/2007 11:16:30 AM MDN35Reference Substance
167/19/2007 11:16:30 AM VAR5Reference Substance
2 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 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Kopka J., Hummel J.
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