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Spectrum Details
HMDB ID:HMDB0001336
Compound Name:3,4-Dihydroxybenzeneacetic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-MS (3 TMS)
Splash Key:splash10-004i-0952000000-d45a1420d6ae61cb9169 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:1823.79
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:3 TMS
Derivative Formula:C17H32O4Si3
Derivative Molecular Weight:384.69
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file5.96 KB
Generated list of m/z values for the spectrum (TXT)Download file3.8 KB
mzML formatted file (MZML)Download file11.3 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) [d1b0cc6a-a3f4-4cdf-b89d-f648ca87c707 ]