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Details of Ornithine (4TMS)

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Role Analyte
nameOrnithine (4TMS)
MPIMP IDA182002
isotopomerambient
formulaC17H44N2O2Si4
molecular mass420.886
monoisotopic mass420.24799
InChIInChI=1S/C17H44N2O2Si4/c1-22(2,3)18-16(17(20)21-25(10,11)12)14-13-15-19(23(4,5)6)24(7,8)9/h16,18H,13-15H2,1-12H3/t16-/m0/s1
InChIKeyPUQPCLIKLCAPHV-INIZCTEOSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,807.64
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c84115f9-1189-426f-bd11-baaf6b9bb3fe%27)

Synonyms of Ornithine (4TMS)

propertyvalue
ChemSpider ID20047141
PubChem CID588340
2 synonym(s)

Metabolite mapped to Ornithine (4TMS)

metabolitestereoisomerisotopomer
OrnithineL- ambient
1 metabolite(s)

Reference spectra of Ornithine (4TMS)

replicaentry datedetectionmethodspecies
228/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
26/1/2001 12:00:00 AM M[2]Standard
248/28/2012 5:51:49 PM MassBank GC 2010 Ara 
39/11/2005 12:00:00 AM M[FAME4090]Standard
213/30/2011 4:52:37 PM Fiehn_GC_2010 
49/11/2005 12:00:00 AM M[FAME4090]Standard
56/1/2001 12:00:00 AM M[EIGTMS]Standard
69/11/2005 12:00:00 AM M[FAME4090]Standard
71/22/2005 12:00:00 AM M[ROE] 
88/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
23 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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