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Details of Octanoic acid, n- (1TMS)

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Role Analyte
nameOctanoic acid, n- (1TMS)
MPIMP IDA127006
isotopomerambient
formulaC11H24O2Si
molecular mass216.393
monoisotopic mass216.15456
InChIInChI=1S/C11H24O2Si/c1-5-6-7-8-9-10-11(12)13-14(2,3)4/h5-10H2,1-4H3
InChIKeyGRHSLTISTCPPAT-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,261.1
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c8f48438-fe65-4557-971d-2193339f3a20%27)

Synonyms of Octanoic acid, n- (1TMS)

Metabolite mapped to Octanoic acid, n- (1TMS)

Reference spectra of Octanoic acid, n- (1TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
29/7/2004 12:00:00 AM M[6]Standard Addition
36/12/2003 12:00:00 AM M[2]Arabidopsis thaliana
98/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
83/30/2011 4:52:37 PM Fiehn_GC_2010 
411/26/2004 12:00:00 AM M[FAME4090]Standard
51/25/2005 12:00:00 AM M[MOR] 
65/12/2005 12:00:00 AM M[NIST] 
74/19/2010 1:47:45 PM VAR5Reference Substance
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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