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Details of Decanoic acid (1TMS)

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Role Analyte
nameDecanoic acid (1TMS)
MPIMP IDA147004
isotopomerambient
formulaC13H28O2Si
molecular mass244.446
monoisotopic mass244.18586
InChIInChI=1S/C13H28O2Si/c1-5-6-7-8-9-10-11-12-13(14)15-16(2,3)4/h5-12H2,1-4H3
InChIKeyFGTNBYWFNITQJR-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,456.08
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270bb4efc3-964e-41b4-abc4-794aee6faf9c%27)

Synonyms of Decanoic acid (1TMS)

Metabolite mapped to Decanoic acid (1TMS)

metabolitestereoisomerisotopomer
Capric acidn- ambient
1 metabolite(s)

Reference spectra of Decanoic acid (1TMS)

replicaentry datedetectionmethodspecies
111/26/2004 12:00:00 AM M[FAME4090]Standard
25/12/2005 12:00:00 AM M[NIST] 
37/19/2007 11:16:30 AM MDN35Reference Substance
45/12/2005 12:00:00 AM M[NIST] 
59/7/2004 12:00:00 AM M[6]Standard Addition
71/25/2005 12:00:00 AM M[MOR] 
85/12/2005 12:00:00 AM M[NIST] 
95/1/2001 12:00:00 AM M[EIGTMS]Standard
1111/3/2010 4:22:41 PM Schomburg_GC_2010 
123/30/2011 4:52:37 PM Fiehn_GC_2010 
11 spectrum(a)
    of 2    
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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