Spectrum Details
CDB ID:CDB005313
Compound Name:2-Oxo-4-methylthiobutanoic 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:splash10-0uyr-7940000000-be5c411217da093f2c8a 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:1454.41
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 MEOX; 1 TMS
Derivative Formula:C9H19NO3SSi
Derivative Molecular Weight:249.404
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file1.91 KB
Generated list of m/z values for the spectrum (TXT)Download file779 Bytes
mzML formatted file (MZML)Download file5.48 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) [c3eeb5be-22b7-4d1b-aab3-e264d8d0cc9e ]