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Details of Creatinine (3TMS)

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Role	Analyte
name	Creatinine (3TMS)
MPIMP ID	A155007
isotopomer	ambient
formula	C13H31N3OSi3
molecular mass	329.662
monoisotopic mass	329.17749
InChI	InChI=1S/C13H31N3OSi3/c1-15-11-12(17-20(8,9)10)14-13(15)16(18(2,3)4)19(5,6)7/h11H,1-10H3
InChIKey	XLSJWTRDAZBATG-UHFFFAOYSA-N
substructure TMS	3
substructure TBS	0
substructure H3ON	0
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)	1,554.4
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27cd163a4d-91f3-4444-bb71-df318e92f470%27)

Synonyms of Creatinine (3TMS)

property	value
ChemSpider ID	480823
PubChem CID	552807
synonym	Creatinine enol N1,N3,O-tris(trimethylsilyl)
synonym	Creatinine enol, N1,N3,O-tris(trimethylsilyl)-
synonym	Creatinine, N,N,O-tris(trimethylsilyl)-
synonym	Creatinine3TMS
synonym	Kreatinine3TMS
7 synonym(s)

Metabolite mapped to Creatinine (3TMS)

metabolite	stereoisomer	isotopomer
Creatinine		ambient
1 metabolite(s)

Reference spectra of Creatinine (3TMS)

replica	entry date	method	species
13	6/5/2013 12:39:00 PM	MRI_2013
10	11/3/2010 4:21:36 PM	Schomburg_GC_2010
11	3/30/2011 4:52:37 PM	Fiehn_GC_2010
3	5/12/2005 12:00:00 AM	M[NIST]
4	7/19/2007 11:16:30 AM	MDN35	Reference Substance
5	5/12/2005 12:00:00 AM	M[NIST]
6	7/19/2007 11:16:30 AM	VAR5	Reference Substance
12	8/28/2012 5:51:49 PM	MassBank GC 2010 Tsujimoto
8 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.

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