Spectrum Details
FooDB ID:FDB002562
Compound Name:Neochlorogenic 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-2779000000-05b2fc59f56f79049968 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:3177.08
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:6 TMS
Derivative Formula:C34H66O9Si6
Derivative Molecular Weight:787.396
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file5.8 KB
Generated list of m/z values for the spectrum (TXT)Download file3.56 KB
mzML formatted file (MZML)Download file10.6 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) [aa690cf2-1ec3-4e0a-99cf-dd24992eee9a ]