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Nonanoic acid methyl ester (FAME MIX)

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Replica Mass Spectra of Nonanoic acid methyl ester (FAME MIX)

replica	lib entry date	detection	method	species
10	30 March 2011		Fiehn_GC_2010
6	08 October 2009	MS-TOF	VAR5	Reference Substance
8	08 October 2009	MS-TOF	VAR5	Reference Substance
7	08 October 2009	MS-TOF	VAR5	Reference Substance
4	08 October 2009	MS-TOF	VAR5	Reference Substance
3	22 February 2005	MS-TOF	M[STR]
5	08 October 2009	MS-TOF	VAR5	Reference Substance
9	03 November 2010		Schomburg_GC_2010
8 spectrum(a)

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Spectrum Details

analyte	Nonanoic acid methyl ester (FAME MIX)
analyte InChI	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
analyte mass	172.26
chromatogram	NA(_26)
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	IS (RI35)
retention time (sec)	922.26
retention index (VAR5 method, n-alkanes C10–C36)	1,215.03 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	74
maximal intensity	999
mass-intensity-peaks cardinality	40 intensities
minimal m/z	39
maximal m/z	172
download JCAMP DX	SpectrumJcampDx.ashx?id=713e6d31-ef90-4d95-89e2-364c15c86c12
download MSP	SpectrumMsp.ashx?id=713e6d31-ef90-4d95-89e2-364c15c86c12

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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