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Details of Benzoic acid, 2-nitro-5-thio- (2TMS)

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Role Analyte
nameBenzoic acid, 2-nitro-5-thio- (2TMS)
MPIMP IDA203015
isotopomerambient
formulaC13H21NO4SSi2
molecular mass343.548
monoisotopic mass343.07298
InChIInChI=1S/C13H21NO4SSi2/c1-20(2,3)17-13(15)11-9-10(19)7-8-12(11)14(16)18-21(4,5)6/h7-9H,1-6H3
InChIKeyHPBVKFDKCKGYEP-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36) 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27ce593712-2138-4b65-a625-a32c174539a5%27)

Synonyms of Benzoic acid, 2-nitro-5-thio- (2TMS)

Metabolite mapped to Benzoic acid, 2-nitro-5-thio- (2TMS)

Reference spectra of Benzoic acid, 2-nitro-5-thio- (2TMS)

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 8/9/2011 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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