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Details of Isoleucine (1TMS)

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Role Analyte
nameIsoleucine (1TMS)
MPIMP IDA119002
isotopomerambient
formulaC9H21NO2Si
molecular mass203.354
monoisotopic mass203.13416
InChIInChI=1S/C9H21NO2Si/c1-6-7(2)8(10)9(11)12-13(3,4)5/h7-8H,6,10H2,1-5H3
InChIKeyZBVUZZNOZGCJIE-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,174.98
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27ca6225b5-c1f1-4d23-824d-037c402134f4%27)

Synonyms of Isoleucine (1TMS)

Metabolite mapped to Isoleucine (1TMS)

metabolitestereoisomerisotopomer
IsoleucineDL- ambient
1 metabolite(s)

Reference spectra of Isoleucine (1TMS)

replicaentry datedetectionmethodspecies
12/22/2005 12:00:00 AM M[STR] 
611/3/2010 4:22:01 PM Schomburg_GC_2010 
25/1/2001 12:00:00 AM M[EIGTMS]Solanum tuberosum
73/30/2011 4:52:37 PM Fiehn_GC_2010 
37/19/2007 11:16:30 AM VAR5Reference Substance
42/22/2005 12:00:00 AM M[STR] 
53/15/2005 12:00:00 AM M[6]Reference Substance
7 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.
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