Spectrum Details
FooDB ID:FDB002582
Compound Name:Chlorogenic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (6 TMS)
Splash Key:splash10-0a4j-1897000000-1bf40e61c8b016f6d1fe 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:3099.59
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:6 TMS
Derivative Formula:C34H66O9Si6
Derivative Molecular Weight:787.396
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) [a7805fdf-1028-4275-a8f1-3620610199f6 ]