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Proline (2TMS)

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Replica Mass Spectra of Proline (2TMS)

replica	lib entry date	detection	method	species
31	30 March 2011		Fiehn_GC_2010
1	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
2	12 May 2005		M[NIST]
3	11 September 2005		M[FAME4090]	Standard
5	12 May 2005		M[NIST]
6	26 November 2004		M[FAME4090]	Standard
7	12 May 2005		M[NIST]
9	12 May 2005		M[NIST]
10	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
32	30 March 2011		Fiehn_GC_2010
32 spectrum(a)
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Spectrum Details

analyte	Proline (2TMS)
analyte InChI	InChI=1S/C11H25NO2Si2/c1-15(2,3)12-9-7-8-10(12)11(13)14-16(4,5)6/h10H,7-9H2,1-6H3/t10-/m0/s1
analyte mass	259.49
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)
retention index (VAR5 method, n-alkanes C10–C36)	1,297.58 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	142
maximal intensity	999
mass-intensity-peaks cardinality	67 intensities
minimal m/z	39
maximal m/z	244
download JCAMP DX	SpectrumJcampDx.ashx?id=b0a6566d-d559-4d8c-bdd8-246e681a71a1
download MSP	SpectrumMsp.ashx?id=b0a6566d-d559-4d8c-bdd8-246e681a71a1

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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