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Cellobiose, D- (1MEOX) (8TMS) BP

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Replica Mass Spectra of Cellobiose, D- (1MEOX) (8TMS) BP

replica	lib entry date	detection	method	species
1	26 November 2004		M[FAME4090]	Reference Substance
6	30 March 2011		Fiehn_GC_2010
3	25 January 2005	MS-TOF	M[MOR]
7	05 June 2013		MRI_2013
4	19 July 2007	MS-TOF	VAR5	Reference Substance
5	03 November 2010		Schomburg_GC_2010
6 spectrum(a)

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Spectrum Details

analyte	Cellobiose, D- (1MEOX) (8TMS) BP
analyte InChI	InChI=1S/C37H89NO11Si8/c1-39-38-26-29(44-52(8,9)10)33(46-54(14,15)16)32(31(45-53(11,12)13)28-41-51(5,6)7)43-37-36(49-57(23,24)25)35(48-56(20,21)22)34(47-55(17,18)19)30(42-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26-
analyte mass	948.79
chromatogram	NA(_49)
citation
authors	Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date	19 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	2,718.76 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	204
maximal intensity	999
mass-intensity-peaks cardinality	331 intensities
minimal m/z	70
maximal m/z	599
download JCAMP DX	SpectrumJcampDx.ashx?id=870359e3-0137-4881-ab1a-790e82e201a4
download MSP	SpectrumMsp.ashx?id=870359e3-0137-4881-ab1a-790e82e201a4

GC-Method

name	M[ROE]
citation	U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087

attribute	text	details
deconvolution	Xcalibur program
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detector	MS-QUAD	m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extraction	methanol:chloroform
ion source	EI	70eV
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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