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Fructose-1,6-diphosphate (1MEOX) (7TMS) MP

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Replica Mass Spectra of Fructose-1,6-diphosphate (1MEOX) (7TMS) MP

replica	lib entry date	detection	method	species
1	22 February 2005	MS-TOF	M[STR]
7	03 November 2010		Schomburg_GC_2010
2	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
4	26 November 2004		M[FAME4090]	Standard
5	25 January 2005	MS-TOF	M[MOR]
6	01 October 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
6 spectrum(a)

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Spectrum Details

analyte	Fructose-1,6-diphosphate (1MEOX) (7TMS) MP
analyte InChI	InChI=1S/C28H73NO12P2Si7/c1-32-29-25(23-33-42(30,38-47(11,12)13)39-48(14,15)16)27(36-45(5,6)7)28(37-46(8,9)10)26(35-44(2,3)4)24-34-43(31,40-49(17,18)19)41-50(20,21)22/h26-28H,23-24H2,1-22H3/b29-25+
analyte mass	874.43
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)	2,320.26
retention index (VAR5 method, n-alkanes C10–C36)	2,708.96 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	217
maximal intensity	999
mass-intensity-peaks cardinality	456 intensities
minimal m/z	45
maximal m/z	577
download JCAMP DX	SpectrumJcampDx.ashx?id=9f2822e7-2bc2-427f-bd55-8c7a21d8134e
download MSP	SpectrumMsp.ashx?id=9f2822e7-2bc2-427f-bd55-8c7a21d8134e

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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