Spectrum Details
FooDB ID:FDB002561
Compound Name:Cryptochlorogenic 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:splash10-0a4i-1798000000-4dd46c95bc0c59c9ca75 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:3154.54
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) [0292159d-8ee5-4b0b-9756-17ef4f55263a ]