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Details of Creatinine (3TMS)

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Role Analyte
nameCreatinine (3TMS)
MPIMP IDA155007
isotopomerambient
formulaC13H31N3OSi3
molecular mass329.662
monoisotopic mass329.17749
InChIInChI=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
InChIKeyXLSJWTRDAZBATG-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,554.4
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27cd163a4d-91f3-4444-bb71-df318e92f470%27)

Synonyms of Creatinine (3TMS)

Metabolite mapped to Creatinine (3TMS)

metabolitestereoisomerisotopomer
Creatinine  ambient
1 metabolite(s)

Reference spectra of Creatinine (3TMS)

replicaentry datedetectionmethodspecies
136/5/2013 12:39:00 PM MRI_2013 
1011/3/2010 4:21:36 PM Schomburg_GC_2010 
113/30/2011 4:52:37 PM Fiehn_GC_2010 
35/12/2005 12:00:00 AM M[NIST] 
47/19/2007 11:16:30 AM MDN35Reference Substance
55/12/2005 12:00:00 AM M[NIST] 
67/19/2007 11:16:30 AM VAR5Reference Substance
128/28/2012 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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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