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Palatinose (1MEOX) (8TMS)

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Replica Mass Spectra of Palatinose (1MEOX) (8TMS)

replica	lib entry date	detection	method	species
7	30 March 2011		Fiehn_GC_2010
1	26 November 2004		M[FAME4090]	Standard
4	18 June 2010	MS-TOF	VAR5	Mix
5	03 November 2010		Schomburg_GC_2010
3	01 January 2003	MS-Quad	M[2]	Standard
6	03 November 2010		Schomburg_GC_2010
6 spectrum(a)

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Spectrum Details

analyte	Palatinose (1MEOX) (8TMS)
analyte InChI	InChI=1S/C37H89NO11Si8/c1-39-38-29(26-41-50(2,3)4)32(45-53(11,12)13)34(47-55(17,18)19)31(44-52(8,9)10)27-40-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(43-37)28-42-51(5,6)7/h30-37H,26-28H2,1-25H3/b38-29+
analyte mass	948.79
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)	454.5
retention index (VAR5 method, n-alkanes C10–C36)	2,836.28 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	231 intensities
minimal m/z	53
maximal m/z	599
download JCAMP DX	SpectrumJcampDx.ashx?id=316934f6-d7e2-4d40-b4fd-b7d499cb87a4
download MSP	SpectrumMsp.ashx?id=316934f6-d7e2-4d40-b4fd-b7d499cb87a4

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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