Spectrum Details
CDB ID:CDB000107
Compound Name:Quinic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (5 TMS)
Splash Key:splash10-052b-1985000000-8de0c4f44a72e6fbc96b 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:1842.69
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:5 TMS
Derivative Formula:C22H52O6Si5
Derivative Molecular Weight:553.073
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file4.03 KB
Generated list of m/z values for the spectrum (TXT)Download file2.29 KB
mzML formatted file (MZML)Download file8.25 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) [9506c21a-0f1c-4ef9-9cda-2e5c46c1a5dc ]