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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
8	01 February 2005	MS-TOF	M[6]	Reference Substance
9	19 July 2007	MS-TOF	VAR5	Reference Substance
16	30 March 2011		Fiehn_GC_2010
17 spectrum(a)
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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	NA(_43)
citation
authors	Moritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date	25 January 2005
metabolite role	METB
retention time (sec)	508.3
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	159 intensities
minimal m/z	51
maximal m/z	705
download JCAMP DX	SpectrumJcampDx.ashx?id=e43b6658-77ba-4c94-8595-957f36bf7af4
download MSP	SpectrumMsp.ashx?id=e43b6658-77ba-4c94-8595-957f36bf7af4

GC-Method

name	M[MOR]
citation	Gullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatization	MEOX; TMS	METHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detector	MS-TOF	m/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extraction	methanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	none
RI	ALKANE	C12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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