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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
2	22 January 2005	MS-QUAD	M[ROE]
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	1248BK08
citation	Schauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
authors	Kopka J, 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 August 2001
metabolite role	MST
retention time (sec)	2,807.76
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	50 intensities
minimal m/z	73
maximal m/z	453
download JCAMP DX	SpectrumJcampDx.ashx?id=a96f4bc4-6c94-4163-bf7a-b00e7da8a02b
download MSP	SpectrumMsp.ashx?id=a96f4bc4-6c94-4163-bf7a-b00e7da8a02b

GC-Method

name	M[2]
citation	Roessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detector	MS-Quad	m/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, 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, 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, #NA (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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