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Spectrum Details
HMDB ID:HMDB0000847
Compound Name:Pelargonic acid
Spectrum Type:GC-MS Spectrum - GC-MS (1 TMS)
Splash Key:splash10-014i-2920000000-8730f6690cd20a58fcfc 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:1360.69
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C12H26O2Si
Derivative Molecular Weight:230.42
Notes
Documentation
Document DescriptionDownload
Golm MSL RecordDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload 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) [1670fcbe-50ce-4b14-9a0d-6e80ec9f97e5 ]