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Spectrum Details
HMDB ID:HMDB0126386
Compound Name:3-(2,4-Dihydroxyphenyl)propanoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - 3-(2,4-Dihydroxyphenyl)propanoic acid GC-MS (3 TMS)
Splash Key:splash10-014i-3791000000-bef2175a80b2c7076f79 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:1949.45
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:3 TMS
Derivative Formula:C18H34O4Si3
Derivative Molecular Weight:398.717
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file1.53 KB
Generated list of m/z values for the spectrum (TXT)Download file1.53 KB
mzML formatted file (MZML)Download file9.53 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) [d069c951-94f0-41ed-a40c-f33f917daeca ]