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Thymine (2TMS)

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Replica Mass Spectra of Thymine (2TMS)

replica	lib entry date	detection	method	species
24	07 September 2012	MS-TOF	VAR5
20	28 August 2012		MassBank GC 2010 Tsujimoto
22	06 September 2012	MS-TOF	VAR5
23	07 September 2012	MS-TOF	VAR5
1	26 November 2004		M[FAME4090]	Standard
19	28 August 2012		MassBank GC 2010 Kusano
4	16 December 2003	MS-Quad	M[2]	Standard
6	06 October 2004	MS-Quad	M[2]	Reference Substance
8	12 May 2005		M[NIST]
18	30 March 2011		Fiehn_GC_2010
20 spectrum(a)
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Spectrum Details

analyte	Thymine (2TMS)
analyte InChI	InChI=1S/C11H22N2O2Si2/c1-9-8-12(16(2,3)4)11(15)13(10(9)14)17(5,6)7/h8H,1-7H3
analyte mass	270.48
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-METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,397.65 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	255
maximal intensity	999
mass-intensity-peaks cardinality	128 intensities
minimal m/z	45
maximal m/z	274
download JCAMP DX	SpectrumJcampDx.ashx?id=e352ca74-b8a0-444c-9d74-603f67fbc2f8
download MSP	SpectrumMsp.ashx?id=e352ca74-b8a0-444c-9d74-603f67fbc2f8

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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