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Kestose, 6- (11TMS)

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Replica Mass Spectra of Kestose, 6- (11TMS)

replica	lib entry date	detection	method	species
1	01 August 2001	MS-Quad	M[2]	Standard
1 spectrum(a)

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Spectrum Details

analyte	Kestose, 6- (11TMS)
analyte InChI	InChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)45(64-75(22,23)24)46(65-76(25,26)27)49(57-39)60-51(38-56-71(10,11)12)48(67-78(31,32)33)43(62-73(16,17)18)40(59-51)34-52-50(37-55-70(7,8)9)47(66-77(28,29)30)44(63-74(19,20)21)41(58-50)36-54-69(4,5)6/h39-49H,34-38H2,1-33H3/t39?,40?,41?,42-,43-,44-,45+,46-,47+,48+,49-,50-,51+/m1/s1
analyte mass	1,298.43
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)	3,381.36 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	361
maximal intensity	999
mass-intensity-peaks cardinality	263 intensities
minimal m/z	71
maximal m/z	559
download JCAMP DX	SpectrumJcampDx.ashx?id=4da09cda-d2a0-487a-995e-efe3e67fc58f
download MSP	SpectrumMsp.ashx?id=4da09cda-d2a0-487a-995e-efe3e67fc58f

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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