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Details of Allantoin (4TMS)

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Role Analyte
nameAllantoin (4TMS)
MPIMP IDA189007
isotopomerambient
formulaC16H38N4O3Si4
molecular mass446.840
monoisotopic mass446.20210
InChIInChI=1S/C16H38N4O3Si4/c1-24(2,3)17-15(22)18(25(4,5)6)13-14(21)20(27(10,11)12)16(23)19(13)26(7,8)9/h13H,1-12H3,(H,17,22)
InChIKeyJCTLKXZUOVSOAD-UHFFFAOYSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,876.44
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%271a461149-7117-4f5a-bf35-b6477da724bb%27)

Synonyms of Allantoin (4TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Allantoin (4TMS)

metabolitestereoisomerisotopomer
Allantoinno ambient
1 metabolite(s)

Reference spectra of Allantoin (4TMS)

replicaentry datedetectionmethodspecies
78/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
15/1/2001 12:00:00 AM M[EIGTMS]Solanum tuberosum
22/1/2005 12:00:00 AM M[6]Reference Substance
31/19/2005 12:00:00 AM M[ROE] 
48/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
88/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
63/30/2011 4:52:37 PM Fiehn_GC_2010 
511/1/2001 12:00:00 AM M[2]Standard
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 8/9/2011 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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