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Melezitose (11TMS)

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Replica Mass Spectra of Melezitose (11TMS)

replica	lib entry date	detection	method	species
1	01 January 2002	MS-Quad	M[2]	Standard
2	19 July 2007	MS-TOF	MDN35	Reference Substance
3	19 December 2003	MS-Quad	M[2]	Standard
4	14 November 2003	MS-Quad	M[2]	Arabidopsis thaliana
5	01 February 2005	MS-TOF	M[6]	Reference Substance
6	11 September 2005		M[FAME4090]	Standard
7	26 November 2004		M[FAME4090]	Standard
9	19 July 2007	MS-TOF	VAR5	Reference Substance
16	30 March 2011		Fiehn_GC_2010
10	25 January 2005	MS-TOF	M[MOR]
17 spectrum(a)
Page of 2 Results per page:

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Spectrum Details

analyte	Melezitose (11TMS)
analyte InChI	InChI=1S/C51H120O16Si11/c1-68(2,3)52-34-38-41(61-72(13,14)15)44(64-75(22,23)24)46(66-77(28,29)30)49(56-38)58-48-43(63-74(19,20)21)40(36-54-70(7,8)9)59-51(48,37-55-71(10,11)12)60-50-47(67-78(31,32)33)45(65-76(25,26)27)42(62-73(16,17)18)39(57-50)35-53-69(4,5)6/h38-50H,34-37H2,1-33H3
analyte mass	1,298.43
chromatogram	4154GX29
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)	1,965.51
retention index (VAR5 method, n-alkanes C10–C36)	3,448.64 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	200 intensities
minimal m/z	70
maximal m/z	541
download JCAMP DX	SpectrumJcampDx.ashx?id=0f6f6d3c-aca0-41fe-8a20-7e38c22160bb
download MSP	SpectrumMsp.ashx?id=0f6f6d3c-aca0-41fe-8a20-7e38c22160bb

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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