Spectrum Details
chemdb ID:CHEM021613
Compound Name:Isocitric acid
Spectrum Type:GC-MS Spectrum - GC-MS (4 TMS)
Splash Key:splash10-00ea-3793000000-84858fa896697420275f 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:1805.4
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:4 TMS
Derivative Formula:C18H40O7Si4
Derivative Molecular Weight:480.848
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) [b3caa3f7-99d7-46d8-b00c-f47fbb38f69f ]