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Trehalose-6-phosphate (9TMS)

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Replica Mass Spectra of Trehalose-6-phosphate (9TMS)

replica	lib entry date	detection	method	species
6	03 November 2010		Schomburg_GC_2010
7	30 March 2011		Fiehn_GC_2010
1	01 May 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
2	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
3	19 July 2007	MS-TOF	MDN35	Reference Substance
5	19 July 2007	MS-TOF	VAR5	Reference Substance
6 spectrum(a)

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Spectrum Details

analyte	Trehalose-6-phosphate (9TMS)
analyte InChI	InChI=1S/C39H95O14PSi9/c1-55(2,3)42-29-31-33(47-57(7,8)9)35(49-59(13,14)15)37(51-61(19,20)21)39(44-31)45-38-36(50-60(16,17)18)34(48-58(10,11)12)32(46-56(4,5)6)30(43-38)28-41-54(40,52-62(22,23)24)53-63(25,26)27/h30-39H,28-29H2,1-27H3
analyte mass	1,071.91
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)	3,172.77 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	395 intensities
minimal m/z	38
maximal m/z	569
download JCAMP DX	SpectrumJcampDx.ashx?id=fcf9e030-46c2-4f1d-862a-e28eefe3f745
download MSP	SpectrumMsp.ashx?id=fcf9e030-46c2-4f1d-862a-e28eefe3f745

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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