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Caffeine

 

Replica Mass Spectra of Caffeine

replicalib entry datedetectionmethodspecies
528 August 2012  MassBank GC 2010 Kusano 
412 April 2010 MS-TOFVAR5Reference Substance
728 August 2012  MassBank GC 2010 Ara 
628 August 2012  MassBank GC 2010 Tsujimoto 
125 January 2005 MS-TOFM[MOR] 
828 August 2012  MassBank GC 2010 Ara 
319 July 2007 MS-TOFMDN35Reference Substance
7 spectrum(a)
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Spectrum Details

analyteCaffeine
analyte InChIInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
analyte mass194.19
chromatogramNA(_51)
citation 
authorsCatchpole G, Willmitzer L, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date23 August 2005
metabolite roleMETB
retention time (sec)834.11
retention index (VAR5 method, n-alkanes C10–C36)1.851,25 (predicted, according to Strehmel, N. et.al)
base peak (m/z)109
maximal intensity999
mass-intensity-peaks cardinality134 intensities
minimal m/z82
maximal m/z496
download JCAMP DXSpectrumJcampDx.ashx?id=fa0e6f19-72de-43ac-8aa8-cf23d44c8d17
download MSPSpectrumMsp.ashx?id=fa0e6f19-72de-43ac-8aa8-cf23d44c8d17

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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