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Caffeine

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Replica Mass Spectra of Caffeine

replica	lib entry date	detection	method	species
5	28 August 2012		MassBank GC 2010 Kusano
4	12 April 2010	MS-TOF	VAR5	Reference Substance
7	28 August 2012		MassBank GC 2010 Ara
6	28 August 2012		MassBank GC 2010 Tsujimoto
1	25 January 2005	MS-TOF	M[MOR]
8	28 August 2012		MassBank GC 2010 Ara
3	19 July 2007	MS-TOF	MDN35	Reference Substance
7 spectrum(a)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyte	Caffeine
analyte InChI	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
analyte mass	194.19
chromatogram	NA(_51)
citation
authors	Catchpole 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 date	23 August 2005
metabolite role	METB
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 intensity	999
mass-intensity-peaks cardinality	134 intensities
minimal m/z	82
maximal m/z	496
download JCAMP DX	SpectrumJcampDx.ashx?id=fa0e6f19-72de-43ac-8aa8-cf23d44c8d17
download MSP	SpectrumMsp.ashx?id=fa0e6f19-72de-43ac-8aa8-cf23d44c8d17

GC-Method

name	M[FAME4090]
citation

attribute	text	details
ion source	EI

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