Spectrum Details
FooDB ID:FDB012705
Compound Name:Scopoletin
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (1 TMS)
Splash Key:splash10-053r-2490000000-c200887014ff29ef3a8f 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:2067.01
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C13H16O4Si
Derivative Molecular Weight:264.35
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file4 KB
Generated list of m/z values for the spectrum (TXT)Download file2.35 KB
mzML formatted file (MZML)Download file8.49 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) [8029f843-e934-4bb9-861f-6f1f725e1653 ]