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Mannitol (6TMS)

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Replica Mass Spectra of Mannitol (6TMS)

replica	lib entry date	detection	method	species
25	03 November 2010		Schomburg_GC_2010
1	01 December 2003	MS-Quad	M[2]	Standard
2	12 May 2005		M[NIST]
3	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
4	01 July 2001	MS-Quad	M[2]	Standard
5	25 January 2005	MS-TOF	M[MOR]
7	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
8	12 May 2005		M[NIST]
9	19 July 2007	MS-TOF	VAR5	Reference Substance
10	19 July 2007	MS-TOF	VAR5	Reference Substance
25 spectrum(a)
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Spectrum Details

analyte	Mannitol (6TMS)
analyte InChI	InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22-,23-,24-/m1/s1
analyte mass	615.26
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)	1,916 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	213 intensities
minimal m/z	39
maximal m/z	524
download JCAMP DX	SpectrumJcampDx.ashx?id=39165bac-1d25-4a3e-8461-5f51eaa74980
download MSP	SpectrumMsp.ashx?id=39165bac-1d25-4a3e-8461-5f51eaa74980

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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