Spectrum Details
BMDB ID:BMDB0000900
Compound Name:Ergocalciferol
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (1 TMS)
Splash Key:splash10-003u-3911000000-dba9e396497310b31715 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:3066.1
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C31H52OSi
Derivative Molecular Weight:468.831
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file6.06 KB
Generated list of m/z values for the spectrum (TXT)Download file3.85 KB
mzML formatted file (MZML)Download file11.2 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) [6bcda299-1c2c-4ecb-a490-b8a5269da7aa ]