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Spectrum Details
HMDB ID:HMDB0002183
Compound Name:Docosahexaenoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - Docosahexaenoic acid GC-MS (1 TMS)
Splash Key:splash10-004l-9800000000-86f34228f9e92b6da2c6 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:2575.85
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C25H40O2Si
Derivative Molecular Weight:400.67
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file4.74 KB
Generated list of m/z values for the spectrum (TXT)Download file2.47 KB
mzML formatted file (MZML)Download file8.68 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) [e94c90a8-c8c6-4734-a25e-ce6f7d1d3a4f ]