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Turanose (1MEOX) (8TMS) MP

 

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

replica	lib entry date	detection	method	species
7	30 March 2011		Fiehn_GC_2010
9	05 June 2013		MRI_2013
1	25 January 2005	MS-TOF	M[MOR]
6	03 November 2010		Schomburg_GC_2010
2	01 May 2001	MS-TOF	M[EIGTMS]	Standard
3	19 July 2007	MS-TOF	VAR5	Reference Substance
8	28 August 2012		MassBank GC 2010 Tsujimoto
5	26 November 2004		M[FAME4090]	Standard
8 spectrum(a)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyte	Turanose (1MEOX) (8TMS) MP
analyte InChI	InChI=1S/C37H89NO11Si8/c1-39-38-29(26-40-50(2,3)4)32(34(47-55(17,18)19)31(45-53(11,12)13)28-42-52(8,9)10)44-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(43-37)27-41-51(5,6)7/h30-37H,26-28H2,1-25H3/b38-29+/t30-,31-,32-,33-,34-,35+,36-,37-/m1/s1
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	22 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	2,756 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	248 intensities
minimal m/z	70
maximal m/z	497
download JCAMP DX	SpectrumJcampDx.ashx?id=6043819a-ab42-4230-8103-dd83e3f01dd1
download MSP	SpectrumMsp.ashx?id=6043819a-ab42-4230-8103-dd83e3f01dd1

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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