You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Toxin, Toxin Target Database.
Spectrum Details
T3DB ID:T3D4595
Compound Name:Caproic 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:splash10-00yi-3900000000-8d7942410dfae70c7c9d 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:1062.0
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C9H20O2Si
Derivative Molecular Weight:188.34
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file1.7 KB
Generated list of m/z values for the spectrum (TXT)Download file388 Bytes
mzML formatted file (MZML)Download file4.78 KB
References
  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) [a6337096-5350-4806-85f4-b5a7ea9388bf ]