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Details of Xanthine (3TMS)

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Role Analyte
nameXanthine (3TMS)
MPIMP IDA201014
isotopomerambient
formulaC14H28N4O2Si3
molecular mass368.655
monoisotopic mass368.15201
InChIInChI=1S/C14H28N4O2Si3/c1-21(2,3)18-10-15-12-11(18)13(19-22(4,5)6)17-14(16-12)20-23(7,8)9/h10H,1-9H3
InChIKeyRQUWKIAIWSIBNW-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,006.51
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270dc3834b-713b-4469-a4f0-abaf445d433e%27)

Synonyms of Xanthine (3TMS)

propertyvalue
ChemSpider ID8627116
PubChem CID10451699
synonymB001136
synonymXanthine (3TMS)
4 synonym(s)

Metabolite mapped to Xanthine (3TMS)

metabolitestereoisomerisotopomer
Xanthineno ambient
1 metabolite(s)

Reference spectra of Xanthine (3TMS)

replicaentry datedetectionmethodspecies
58/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
43/30/2011 4:52:37 PM Fiehn_GC_2010 
66/5/2013 12:39:00 PM MRI_2013 
311/3/2010 4:23:11 PM Schomburg_GC_2010 
4 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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