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Aconitic acid, cis- (3TMS)

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Replica Mass Spectra of Aconitic acid, cis- (3TMS)

replica	lib entry date	detection	method	species
1	01 November 2001	MS-Quad	M[2]	Standard
2	19 July 2007	MS-TOF	MDN35	Reference Substance
3	26 November 2004		M[FAME4090]	Standard
22	28 August 2012		MassBank GC 2010 Ara
4	25 January 2005	MS-TOF	M[MOR]
6	01 November 2001	MS-TOF	M[EIGTMS]	Standard
17	17 March 2010	MS-TOF	VAR5	Solanum tuberosum
21	28 August 2012		MassBank GC 2010 Tsujimoto
7	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
19	03 November 2010		Schomburg_GC_2010
22 spectrum(a)
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Spectrum Details

analyte	Aconitic acid, cis- (3TMS)
analyte InChI	InChI=1S/C15H30O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h10H,11H2,1-9H3/b12-10-
analyte mass	390.65
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)	1,741.79 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	178 intensities
minimal m/z	45
maximal m/z	390
download JCAMP DX	SpectrumJcampDx.ashx?id=5cc9429f-48fd-417e-808e-618aa578a901
download MSP	SpectrumMsp.ashx?id=5cc9429f-48fd-417e-808e-618aa578a901

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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