Spectrum Details
FooDB ID:FDB000457
Compound Name:xi-1-(3,4-Dihydroxyphenyl)-1,2-ethanediol
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (4 TMS)
Splash Key:splash10-0a59-0965000000-0c949d05cfff1600a5db 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:1862.67
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:4 TMS
Derivative Formula:C19H40O4Si4
Derivative Molecular Weight:444.861
Notes
Documentation
Document DescriptionDownload
Golm MSL RecordDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
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) [6f980846-f868-4b1f-a869-38930e18a00b ]