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Gentiobiose (1MEOX) (8TMS) MP

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Replica Mass Spectra of Gentiobiose (1MEOX) (8TMS) MP

replica	lib entry date	detection	method	species
1	11 December 2003	MS-Quad	M[2]	Standard Addition
2	11 September 2005		M[FAME4090]	Standard
3	29 November 2003	MS-Quad	M[2]	Arabidopsis thaliana
4	19 July 2007	MS-TOF	VAR5	Reference Substance
8	05 June 2013		MRI_2013
6	11 September 2005		M[FAME4090]	Standard
7	19 January 2005	MS-QUAD	M[ROE]
7 spectrum(a)

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Spectrum Details

analyte	Gentiobiose (1MEOX) (8TMS) MP
analyte InChI	InChI=1S/C37H89NO11Si8/c1-39-38-26-29(43-51(5,6)7)32(45-53(11,12)13)34(47-55(17,18)19)31(44-52(8,9)10)27-40-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(42-37)28-41-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26+
analyte mass	948.79
chromatogram	4173GX41
citation
authors	Liebig F, Erban A, 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	01 February 2005
metabolite role	METB
retention time (sec)	1,678.93
retention index (VAR5 method, n-alkanes C10–C36)	2,801.79 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	336 intensities
minimal m/z	70
maximal m/z	599
download JCAMP DX	SpectrumJcampDx.ashx?id=a2f32da9-95a7-44c1-900b-b2fbee9c322a
download MSP	SpectrumMsp.ashx?id=a2f32da9-95a7-44c1-900b-b2fbee9c322a

GC-Method

name	M[6]
citation	Erban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatization	MEOX; TMS	Methoxyamination:90min40°C; Trimethylsilylation:45min40°C
detector	MS-TOF	MZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extraction	methanol:water (4:1; v/v); 15min70°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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