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Gluconic acid-1,4-lactone (4TMS)

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Replica Mass Spectra of Gluconic acid-1,4-lactone (4TMS)

replica	lib entry date	detection	method
1	22 February 2005	MS-TOF	M[STR]
7	30 March 2011		Fiehn_GC_2010
11	05 June 2013		MRI_2013
9	28 August 2012		MassBank GC 2010 Tsujimoto
4	25 January 2005	MS-TOF	M[MOR]
5	12 May 2005		M[NIST]
6	03 November 2010		Schomburg_GC_2010
8	30 March 2011		Fiehn_GC_2010
10	28 August 2012		MassBank GC 2010 Tsujimoto
9 spectrum(a)

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Spectrum Details

analyte	Gluconic acid-1,4-lactone (4TMS)
analyte InChI	InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
analyte mass	466.86
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	MST
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,884.94 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	217
maximal intensity	999
mass-intensity-peaks cardinality	213 intensities
minimal m/z	45
maximal m/z	468
download JCAMP DX	SpectrumJcampDx.ashx?id=fd44caaf-0aea-4e20-8ed0-97caf54813b7
download MSP	SpectrumMsp.ashx?id=fd44caaf-0aea-4e20-8ed0-97caf54813b7

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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