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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
4	22 February 2005	MS-TOF	M[STR]
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	6069hf_18
citation
authors	Boelling C, Liebig F, Erban A, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date	19 July 2007
metabolite role	METB
retention time (sec)	991.62
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	67,912
mass-intensity-peaks cardinality	435 intensities
minimal m/z	45
maximal m/z	963
download JCAMP DX	SpectrumJcampDx.ashx?id=52342b32-ec04-4bde-84c7-b88a1c6b9126
download MSP	SpectrumMsp.ashx?id=52342b32-ec04-4bde-84c7-b88a1c6b9126

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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