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

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

replica	lib entry date	detection	method	species
7	30 March 2011		Fiehn_GC_2010
1	19 January 2005	MS-QUAD	M[ROE]
8	05 June 2013		MRI_2013
2	19 July 2007	MS-TOF	VAR5	Reference Substance
3	26 November 2004		M[FAME4090]	Reference Substance
6	03 November 2010		Schomburg_GC_2010
4	25 January 2005	MS-TOF	M[MOR]
7 spectrum(a)

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Spectrum Details

analyte	Cellobiose, D- (1MEOX) (8TMS) MP
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(_27)
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authors	Barsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date	12 October 2005
metabolite role	METB
retention time (sec)	2,727.6
retention index (VAR5 method, n-alkanes C10–C36)	2,687.06 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	361
maximal intensity	999
mass-intensity-peaks cardinality	243 intensities
minimal m/z	54
maximal m/z	549
download JCAMP DX	SpectrumJcampDx.ashx?id=8dfdf974-9cfc-4ada-a496-c7ff94a3e833
download MSP	SpectrumMsp.ashx?id=8dfdf974-9cfc-4ada-a496-c7ff94a3e833

GC-Method

name	M[BAR]
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA
derivatization	MEOX; TMS	Methoxyamination:90min37°C; Trimethylsilylation:30min37°C
detector	MS-TRAP	MZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extraction	methanol:water (4:1; v/v); 70°C
ion source	EI	70eV
metabolic inactivation	filtration; liquid nitrogen; lyophilization
partitioning	none
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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