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Details of Hexanoic acid (1TMS)

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Role Analyte
nameHexanoic acid (1TMS)
MPIMP IDA106001
isotopomerambient
formulaC9H20O2Si
molecular mass188.340
monoisotopic mass188.12326
InChIInChI=1S/C9H20O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h5-8H2,1-4H3
InChIKeyCYXNJMDACJPPRR-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,062
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27a6337096-5350-4806-85f4-b5a7ea9388bf%27)

Synonyms of Hexanoic acid (1TMS)

Metabolite mapped to Hexanoic acid (1TMS)

Reference spectra of Hexanoic acid (1TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
29/1/2001 12:00:00 AM M[2]Standard Addition
35/12/2005 12:00:00 AM M[NIST] 
49/7/2004 12:00:00 AM M[6]Standard Addition
55/12/2005 12:00:00 AM M[NIST] 
67/19/2007 11:16:30 AM VAR5Reference Substance
75/12/2005 12:00:00 AM M[NIST] 
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 8/11/2011 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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