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Alanine (3TMS)

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Replica Mass Spectra of Alanine (3TMS)

replica	lib entry date	detection	method	species
1	11 September 2005		M[FAME4090]	Standard
2	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
3	12 June 2003	MS-Quad	M[2]	Arabidopsis thaliana
4	15 March 2005	MS-TOF	M[6]	Reference Substance
5	01 October 2001	MS-TOF	M[EIGTMS]	Standard Addition
6	19 January 2005	MS-QUAD	M[ROE]
7	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
19	03 November 2010		Schomburg_GC_2010
11	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
12	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
14 spectrum(a)
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Spectrum Details

analyte	Alanine (3TMS)
analyte InChI	InChI=1S/C12H31NO2Si3/c1-11(12(14)15-18(8,9)10)13(16(2,3)4)17(5,6)7/h11H,1-10H3
analyte mass	305.64
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)	1,360.5 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	188
maximal intensity	999
mass-intensity-peaks cardinality	88 intensities
minimal m/z	43
maximal m/z	292
download JCAMP DX	SpectrumJcampDx.ashx?id=4d992c38-b0f7-441f-9c48-663375e6b61f
download MSP	SpectrumMsp.ashx?id=4d992c38-b0f7-441f-9c48-663375e6b61f

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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