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Details of Benzene-1,3-dicarboxylic acid (2TMS)

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Role	Analyte
name	Benzene-1,3-dicarboxylic acid (2TMS)
MPIMP ID	A000488
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI
InChIKey
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,762.77
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2739eee38c-c575-490f-ab01-7b14fb7e99db%27)

Synonyms of Benzene-1,3-dicarboxylic acid (2TMS)

property	value
synonym	Benzen-1,3-Dicarboxylic acid; GC-EI-TOF; MS; RT:673.896 sec
1 synonym(s)

Metabolite mapped to Benzene-1,3-dicarboxylic acid (2TMS)

metabolite	stereoisomer	isotopomer
Benzen-1,3-Dicarboxylic acid		ambient
1 metabolite(s)

Reference spectra of Benzene-1,3-dicarboxylic acid (2TMS)

replica	entry date	detection	method	species
1	8/28/2012 5:51:49 PM		MassBank GC 2010 Tsujimoto
1 spectrum(a)

compound timestamp information
deposited	at 8/21/2012 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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