Spectrum Details
FooDB ID:FDB003336
Compound Name:Octanoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (1 TMS)
Splash Key:splash10-0gb9-1920000000-1dc6ed976e003f99e23d View in MoNA
Spectrum View
Experimental Conditions
Instrument Type:GC-MS
Chromatography Type:GC
Retention Index Type:based on 9 n-alkanes (C10–C36)
Retention Index:1261.1
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C11H24O2Si
Derivative Molecular Weight:216.393
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file1.79 KB
Generated list of m/z values for the spectrum (TXT)Download file452 Bytes
mzML formatted file (MZML)Download file4.87 KB
  1. Hummel J, Strehmel N, Selbig J, Walther D, Kopka J: Decision tree supported substructure prediction of metabolites from GC-MS profiles. Metabolomics. 2010 Jun;6(2):322-333. Epub 2010 Feb 16. [PubMed: 20526350 ]
  2. Golm Metabolome Database (GMD) [c8f48438-fe65-4557-971d-2193339f3a20 ]