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Sorbose (1MEOX) (5TMS) BP

 

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Replica Mass Spectra of Sorbose (1MEOX) (5TMS) BP

replica	lib entry date	detection	method	species
1	25 January 2005	MS-TOF	M[MOR]
2	19 July 2007	MS-TOF	VAR5	Reference Substance
9	28 August 2012		MassBank GC 2010 Tsujimoto
3	19 July 2007	MS-TOF	MDN35	Reference Substance
10	28 August 2012		MassBank GC 2010 Tsujimoto
4	01 May 2001	MS-TOF	M[EIGTMS]	Standard
6	26 November 2004		M[FAME4090]	Standard
7	01 January 2003	MS-Quad	M[2]	Standard
8	30 March 2011		Fiehn_GC_2010
9 spectrum(a)

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Spectrum Details

analyte	Sorbose (1MEOX) (5TMS) BP
analyte InChI	InChI=1S/C22H55NO6Si5/c1-24-23-19(17-25-30(2,3)4)21(28-33(11,12)13)22(29-34(14,15)16)20(27-32(8,9)10)18-26-31(5,6)7/h20-22H,17-18H2,1-16H3/b23-19-/t20-,21+,22+/m0/s1
analyte mass	570.1
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)	1,853.97 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	177 intensities
minimal m/z	70
maximal m/z	569
download JCAMP DX	SpectrumJcampDx.ashx?id=dc18963d-9d18-4d57-8ca4-6769f0444af4
download MSP	SpectrumMsp.ashx?id=dc18963d-9d18-4d57-8ca4-6769f0444af4

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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