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Neuraminic acid, N-acetyl- (1MEOX) (7TMS) MP

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Replica Mass Spectra of Neuraminic acid, N-acetyl- (1MEOX) (7TMS) MP

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	VAR5	Reference Substance
5	03 November 2010		Schomburg_GC_2010
6	28 August 2012		MassBank GC 2010 Tsujimoto
2	19 July 2007	MS-TOF	MDN35	Reference Substance
3	22 February 2005	MS-TOF	M[STR]
5 spectrum(a)

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Spectrum Details

analyte	Neuraminic acid, N-acetyl- (1MEOX) (7TMS) MP
analyte InChI	InChI=1S/C33H78N2O9Si7/c1-26(36)35(45(3,4)5)29-27(40-47(9,10)11)24-33(44-51(21,22)23,32(34-37-2)43-50(18,19)20)39-31(29)30(42-49(15,16)17)28(41-48(12,13)14)25-38-46(6,7)8/h27-31H,24-25H2,1-23H3/b34-32-/t27-,28+,29+,30+,31+,33+/m0/s1
analyte mass	843.58
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)	2,666.49 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	345 intensities
minimal m/z	41
maximal m/z	567
download JCAMP DX	SpectrumJcampDx.ashx?id=7fba11a0-cb2b-49ba-860d-fb561d4aea22
download MSP	SpectrumMsp.ashx?id=7fba11a0-cb2b-49ba-860d-fb561d4aea22

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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