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Proline (1TMS)

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Replica Mass Spectra of Proline (1TMS)

replica	lib entry date	detection	method	species
5	03 November 2010		Schomburg_GC_2010
2	19 July 2007	MS-TOF	VAR5	Reference Substance
7	30 March 2011		Fiehn_GC_2010
3	19 July 2007	MS-TOF	VAR5	Reference Substance
4	22 February 2005	MS-TOF	M[STR]
5 spectrum(a)

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Spectrum Details

analyte	Proline (1TMS)
analyte InChI	InChI=1S/C8H17NO2Si/c1-12(2,3)11-8(10)7-5-4-6-9-7/h7,9H,4-6H2,1-3H3/t7-/m0/s1
analyte mass	187.31
chromatogram	NA(_46)
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authors	Strelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date	22 February 2005
metabolite role	METB
retention time (sec)	832.44
retention index (VAR5 method, n-alkanes C10–C36)	1,174.15 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	70
maximal intensity	999
mass-intensity-peaks cardinality	65 intensities
minimal m/z	38
maximal m/z	187
download JCAMP DX	SpectrumJcampDx.ashx?id=fa671e75-3358-434d-a7b0-5183857ce5c0
download MSP	SpectrumMsp.ashx?id=fa671e75-3358-434d-a7b0-5183857ce5c0

GC-Method

name	M[STR]
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861

attribute	text	details
detector	MS-TOF
ion source	EI	70eV
RI	ALKANE	C10, C12, C15, C19, C22, C28, C32, C36
separation	GC	DB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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