Spectrum Details
FooDB ID:FDB008051
Compound Name:Heptanoic acid
Spectrum Type:GC-MS Spectrum - GC-MS (1 TMS)
Splash Key:splash10-00nr-2900000000-ea3133b536a060a54d63 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:1160.87
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C10H22O2Si
Derivative Molecular Weight:202.366
Notes
Documentation
Document DescriptionDownload
Golm MSL RecordDownload file
Generated list of m/z values for the spectrumDownload file
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) [2db3654f-8071-4bd1-bee6-fd3c7c653145 ]