Spectrum Details
BMDB ID:BMDB0002092
Compound Name:Itaconic 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:splash10-067j-4970000000-62c083c1889c0389bdc7 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:1339.09
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 file2.31 KB
Generated list of m/z values for the spectrum (TXT)Download file960 Bytes
mzML formatted file (MZML)Download file5.78 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) [38bd9057-f141-47cf-9b95-626069311f16 ]