Spectrum Details
CDB ID:CDB005252
Compound Name:Citraconic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (2 TMS)
Splash Key:splash10-053s-9830000000-9984d183d92e149a6ab4 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:1345.09
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:2 TMS
Derivative Formula:C11H22O4Si2
Derivative Molecular Weight:274.461
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file1.98 KB
Generated list of m/z values for the spectrum (TXT)Download file784 Bytes
mzML formatted file (MZML)Download file5.52 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) [a1f6c044-37a6-4c76-a1a8-ed4ac68a11ef ]