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Pantothenic acid, D- (3TMS)

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Replica Mass Spectra of Pantothenic acid, D- (3TMS)

replica	lib entry date	detection	method	species
13	28 August 2012		MassBank GC 2010 Tsujimoto
2	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
3	12 October 2005	MS-TRAP	M[BAR]
4	01 October 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
5	19 January 2005	MS-QUAD	M[ROE]
12	28 August 2012		MassBank GC 2010 Kusano
9	16 April 2010	MS-TOF	VAR5	Reference Substance
15	05 June 2013		MRI_2013
7	01 January 2003	MS-Quad	M[2]	Standard
8	26 November 2004		M[FAME4090]	Standard
13 spectrum(a)
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Spectrum Details

analyte	Pantothenic acid, D- (3TMS)
analyte InChI	InChI=1S/C18H41NO5Si3/c1-18(2,14-22-25(3,4)5)16(24-27(9,10)11)17(21)19-13-12-15(20)23-26(6,7)8/h16H,12-14H2,1-11H3,(H,19,21)/t16-/m0/s1
analyte mass	435.78
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	16 June 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,985.87 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	232 intensities
minimal m/z	45
maximal m/z	435
download JCAMP DX	SpectrumJcampDx.ashx?id=6d8e5d06-516c-415f-90f3-7189f1e5ebed
download MSP	SpectrumMsp.ashx?id=6d8e5d06-516c-415f-90f3-7189f1e5ebed

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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