Spectrum Details
CDB ID:CDB005162
Compound Name:Shikimic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (4 TMS)
Splash Key:splash10-0udi-0491000000-49993b9b18e12b9461fc 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:1794.63
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:4 TMS
Derivative Formula:C19H42O5Si4
Derivative Molecular Weight:462.876
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file3.69 KB
Generated list of m/z values for the spectrum (TXT)Download file1.87 KB
mzML formatted file (MZML)Download file7.49 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) [1e0dfe20-fcd1-43df-8de2-901e95a51523 ]