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Spectrum Details
YMDB ID:YMDB00390
Compound Name:3-Dehydroshikimic acid
Spectrum Type:GC-MS Spectrum - GC-MS (1 MEOX; 3 TMS)
Splash Key:splash10-001r-4951000000-73e5d4c38702a9a74934 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:1789.24
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 MEOX; 3 TMS
Derivative Formula:C17H35NO5Si3
Derivative Molecular Weight:417.72
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) [0cf37e18-8f38-46ca-bcb9-f014348d6eb3 ]