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Details of Valine (1TMS)

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Role Analyte
nameValine (1TMS)
MPIMP IDA109001
isotopomerambient
formulaC8H19NO2Si
molecular mass189.328
monoisotopic mass189.11851
InChIInChI=1S/C8H19NO2Si/c1-6(2)7(9)8(10)11-12(3,4)5/h6-7H,9H2,1-5H3/t7-/m0/s1
InChIKeyIJGIMCZHMYSSHY-ZETCQYMHSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,081.68
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27717f3f2f-b596-4e72-9b58-0a57bf2b62fa%27)

Synonyms of Valine (1TMS)

Metabolite mapped to Valine (1TMS)

metabolitestereoisomerisotopomer
ValineL- ambient
1 metabolite(s)

Reference spectra of Valine (1TMS)

replicaentry datedetectionmethodspecies
12/22/2005 12:00:00 AM M[STR] 
96/5/2013 12:39:00 PM MRI_2013 
611/3/2010 4:23:11 PM Schomburg_GC_2010 
25/12/2005 12:00:00 AM M[NIST] 
32/22/2005 12:00:00 AM M[STR] 
73/30/2011 4:52:37 PM Fiehn_GC_2010 
88/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
47/19/2007 11:16:30 AM VAR5Reference Substance
52/22/2005 12:00:00 AM M[STR] 
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 8/11/2011 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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