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Spectrum Details
Compound Name:Caffeine
Spectrum Type:GC-MS Spectrum - GC-MS (Non-derivatized)
Splash Key:splash10-0536-3900000000-4430852b279a72e34822 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:1882.74
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Document DescriptionDownload
Golm MSL RecordDownload file
BMRB NMRstar record bmse000206Download file
  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) [07e4fb58-fd79-4175-8e3d-05bf96954522 ]