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Details of Allantoin (5TMS)

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Role Analyte
nameAllantoin (5TMS)
MPIMP IDA188009
isotopomerambient
formulaC19H46N4O3Si5
molecular mass519.022
monoisotopic mass518.24162
InChIInChI=1S/C19H46N4O3Si5/c1-27(2,3)20-16(17(24)22(18(20)25)29(7,8)9)21(28(4,5)6)19(26)23(30(10,11)12)31(13,14)15/h16H,1-15H3
InChIKeyBQNAISZUDIFTKU-UHFFFAOYSA-N
substructure TMS5
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,897
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2765bb54d2-6bf7-4a53-aa22-8abf71240005%27)

Synonyms of Allantoin (5TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Allantoin (5TMS)

metabolitestereoisomerisotopomer
Allantoinno ambient
1 metabolite(s)

Reference spectra of Allantoin (5TMS)

replicaentry datedetectionmethodspecies
15/1/2001 12:00:00 AM M[EIGTMS]Solanum tuberosum
211/1/2001 12:00:00 AM M[2]Standard
73/30/2011 4:52:37 PM Fiehn_GC_2010 
88/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
38/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
41/19/2005 12:00:00 AM M[ROE] 
53/15/2005 12:00:00 AM M[6]Reference Substance
98/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
63/15/2005 12:00:00 AM M[6]Reference Substance
9 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 8/9/2011 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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