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Nonanoic acid (1TMS)

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Replica Mass Spectra of Nonanoic acid (1TMS)

replica	lib entry date	detection	method	species
1	07 September 2004	MS-TOF	M[6]	Standard Addition
2	26 November 2004		M[FAME4090]	Standard
3	19 July 2007	MS-TOF	VAR5	Reference Substance
5	12 May 2005		M[NIST]
6	01 May 2003	MS-Quad	M[2]	Spathodea campanulata P. Beauv.
7	22 February 2005	MS-TOF	M[STR]
8	12 May 2005		M[NIST]
9	11 September 2005		M[FAME4090]	Standard
13	03 November 2010		Schomburg_GC_2010
10	25 January 2005	MS-TOF	M[MOR]
13 spectrum(a)
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Spectrum Details

analyte	Nonanoic acid (1TMS)
analyte InChI	InChI=1S/C12H26O2Si/c1-5-6-7-8-9-10-11-12(13)14-15(2,3)4/h5-11H2,1-4H3
analyte mass	230.42
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	CONT-METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,359.67 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	122 intensities
minimal m/z	39
maximal m/z	231
download JCAMP DX	SpectrumJcampDx.ashx?id=9b2c7201-6115-44a4-8644-61acc3507ffe
download MSP	SpectrumMsp.ashx?id=9b2c7201-6115-44a4-8644-61acc3507ffe

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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