Spectrum Details
chemdb ID:CHEM006250
Compound Name:ALPHA-KETOBUTYRIC ACID
Spectrum Type:GC-MS Spectrum - GC-MS (2 TMS)
Splash Key:splash10-001i-6950000000-db7f6a0f03a8cce59bae 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:1165.42
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:2 TMS
Derivative Formula:C10H22O3Si2
Derivative Molecular Weight:246.451
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) [7559f2bc-137e-4930-9e4c-39b5a8b10e7d ]