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Details of Alanine, beta- (3TMS)

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Role Analyte
nameAlanine, beta- (3TMS)
MPIMP IDA144001
isotopomerambient
formulaC12H31NO2Si3
molecular mass305.637
monoisotopic mass305.16626
InChIInChI=1S/C12H31NO2Si3/c1-16(2,3)13(17(4,5)6)11-10-12(14)15-18(7,8)9/h10-11H2,1-9H3
InChIKeyMKLCEJSOJVLNMP-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,424.05
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%277f28d146-9d14-4a5f-939b-e4fd03fdb698%27)

Synonyms of Alanine, beta- (3TMS)

Metabolite mapped to Alanine, beta- (3TMS)

Reference spectra of Alanine, beta- (3TMS)

replicaentry datedetectionmethodspecies
223/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM MDN35Reference Substance
248/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
286/5/2013 12:39:00 PM MRI_2013 
26/16/2005 12:00:00 AM M[STR] 
310/12/2005 12:00:00 AM M[BAR] 
258/28/2012 5:51:49 PM MassBank GC 2010 Ara 
412/1/2003 12:00:00 AM M[2]Standard Addition
68/1/2002 12:00:00 AM M[2]Lotus japonicus (Regel) K. Larsen
75/12/2005 12:00:00 AM M[NIST] 
26 spectrum(a)
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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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