Spectrum Details
MiMe ID:MMDBc0000537
Compound Name:Levulinic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (1 MEOX; 1 TMS)
Splash Key:splash10-0ug0-6900000000-ffad5af79457e68cca02 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:1241.29
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 MEOX; 1 TMS
Derivative Formula:C9H19NO3Si
Derivative Molecular Weight:217.338
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file7.73 KB
Generated list of m/z values for the spectrum (TXT)Download file4.74 KB
mzML formatted file (MZML)Download file14 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) [25b87a79-7d0c-47a2-9f78-41bc12bdee17 ]