GC-MS Spectrum - 3,4-Dihydroxymandelic acid GC-MS (4 TMS) (HMDB0001866)
Spectrum Details
HMDB ID: | HMDB0001866 |
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Compound Name: | 3,4-Dihydroxymandelic acid |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | Not Available |
Derivative InChIKey: | Not Available |
Spectrum Type: | GC-MS Spectrum - 3,4-Dihydroxymandelic acid GC-MS (4 TMS) |
Splash Key: | splash10-0a4i-1679200000-30b0a470753b8a534ffb View in MoNA |
Spectrum View
Relative Intensity
m/z
Experimental Conditions
Instrument Type: | GC-MS |
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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 Description | Download | File Size |
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Golm MSL Record (TXT) | Download file | 6.32 KB |
Generated list of m/z values for the spectrum (TXT) | Download file | 4.2 KB |
mzML formatted file (MZML) | Download file | 11.9 KB |
References
- 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 ]
- Golm Metabolome Database (GMD) [9a278979-2e89-4719-ae79-5b4b899c41cf ]