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Details of Benzene-1,2,4-triol (3TMS)

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Role	Analyte
name	Benzene-1,2,4-triol (3TMS)
MPIMP ID	A161002
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI	InChI=1S/C15H30O3Si3/c1-19(2,3)16-13-10-11-14(17-20(4,5)6)15(12-13)18-21(7,8)9/h10-12H,1-9H3
InChIKey	SCCYIQOEXBOGGO-UHFFFAOYSA-N
substructure TMS
substructure TBS	0
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,598.07
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b7ae07e7-8c01-459f-872c-e408e19cf173%27)

Synonyms of Benzene-1,2,4-triol (3TMS)

property	value
External Identification	Schomburg_2010
Manual Match [JKopka]	681\|1,2,3-Tris(trimethylsiloxy)benzene\|NIST08\|CAS#:17864-23-2\|authenticated reference required\|METB:C6H6O3
Manual Match [JKopka]	859\|1,2,3-Tris(trimethylsiloxy)benzene\|NIST08\|CAS#17864-23-2\|authenticated reference required\|METB:C6H6O3
synonym	Benzene-1,2,4-triyltris(oxy)-tris(trimethylsilane)
synonym	possible isomer [A155002]
5 synonym(s)

Metabolite mapped to Benzene-1,2,4-triol (3TMS)

metabolite	stereoisomer	isotopomer
Benzene-1,2,4-triol		ambient
1 metabolite(s)

Reference spectra of Benzene-1,2,4-triol (3TMS)

replica	entry date	method	species
5	4/29/2011 1:51:21 PM	VAR5
1	5/1/2001 12:00:00 AM	M[EIGTMS]	Arabidopsis thaliana
3	3/30/2011 4:52:37 PM	Fiehn_GC_2010
2	11/3/2010 4:23:02 PM	Schomburg_GC_2010
4	4/27/2011 1:32:13 PM	VAR5
5 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 12/12/2011 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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