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 Benzene-1,2,3-triol (3TMS)

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

Role	Analyte
name	Benzene-1,2,3-triol (3TMS)
MPIMP ID	A155002
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI	InChI=1S/C15H30O3Si3/c1-19(2,3)16-13-11-10-12-14(17-20(4,5)6)15(13)18-21(7,8)9/h10-12H,1-9H3
InChIKey	ICAGNSJTZLGSDJ-UHFFFAOYSA-N
substructure TMS
substructure TBS	0
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,536.46
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%276892c0fd-4150-4b8e-b21c-e62f610b6694%27)

Synonyms of Benzene-1,2,3-triol (3TMS)

property	value
CAS	17864-23-2
ChemSpider ID	453129
Experiment [JKopka]	HTR_Glucose
External Identification	Schomburg_2010
Manual Match [JKopka]	708\|1,2,3-Tris(trimethylsilyl)benzene\|NIST08\|CAS#17864-23-2\|needs reference experiment
Manual Match [JKopka]	780\|1,2,3-Tris(trimethylsiloxy)benzene\|NIST08\|CAS#:17864-23-2\|authenticated reference required\|METB:C6H6O3
synonym	Benzene-1,2,3-triyltris(oxy)-tris(trimethylsilane)
synonym	possible isomer [A161002]
synonym	Pyrogallol (3TMS)
9 synonym(s)

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

metabolite	stereoisomer	isotopomer
Benzene-1,2,3-triol		ambient
1 metabolite(s)

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

replica	entry date	method	species
6	8/28/2012 5:51:49 PM	MassBank GC 2010 Tsujimoto
1	5/1/2001 12:00:00 AM	M[EIGTMS]	Standard Addition
7	6/5/2013 12:39:00 PM	MRI_2013
5	4/20/2011 4:43:07 PM	VAR5
3	11/3/2010 4:23:00 PM	Schomburg_GC_2010
2	12/10/2010 9:12:12 AM	VAR5
4	3/30/2011 4:52:37 PM	Fiehn_GC_2010
7 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 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.

Show all analytes

Top