Spectrum Details
chemdb ID:CHEM021754
Compound Name:3,4-Dihydroxymandelic acid
Spectrum Type:GC-MS Spectrum - GC-MS (4 TMS)
Splash Key:splash10-0a4i-1679200000-30b0a470753b8a534ffb 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:1910.6
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:4 TMS
Derivative Formula:C20H40O5Si4
Derivative Molecular Weight:472.871
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) [9a278979-2e89-4719-ae79-5b4b899c41cf ]