GOLM METABOLOME DATABASE

- home
- search
- ms analysis
  - library search
  - prediction
- GoBioSpace
- blog
- thanks to
- publications
- imprint
- privacy policy
- contact
- help

The GMD web site use latest HTML5 features! This message indicates backward compatibility problems in GMD's mass spectra, chemical compound structure and metabolite profile visualizations. As your browser does not support the HTML5 <canvas> element, please consider to upgrade to a HTML5 ready web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, Google Chrome and Opera, to fully enjoy GMD's functionalities!

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

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Role	Analyte
name	Benzoic acid, 2,3-dihydroxy- (3TMS)
MPIMP ID	A173010
isotopomer	ambient
formula	C16H30O4Si3
molecular mass	370.664
monoisotopic mass	370.14519
InChI	InChI=1S/C16H30O4Si3/c1-21(2,3)18-14-12-10-11-13(15(14)19-22(4,5)6)16(17)20-23(7,8)9/h10-12H,1-9H3
InChIKey	IPIPJXIWUUYKNS-UHFFFAOYSA-N
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,737.32
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27d68483e5-ca9d-4f7a-b128-2794812f9e48%27)

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

property	value
ChemSpider ID	454254
PubChem CID	520778
synonym	[19] 2,3-dihydroxybenzoic acid [15.698]
synonym	B000155
synonym	Benzoic acid, 2,3-dihydroxy- (3TMS)
5 synonym(s)

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

metabolite	stereoisomer	isotopomer
Benzoic acid, 2,3-dihydroxy-		ambient
1 metabolite(s)

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

replica	entry date	method	species
1	7/19/2007 11:16:30 AM	MDN35	Reference Substance
3	8/28/2012 5:51:49 PM	MassBank GC 2010 Tsujimoto
1	3/30/2011 4:52:37 PM	Fiehn_GC_2010
2	7/19/2007 11:16:30 AM	VAR5	Reference Substance
4 spectrum(a)

compound timestamp information
deposited	at 3/28/2011 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
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.

Show all analytes

Top