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Xylulose (1MEOX) (4TMS) MP

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Replica Mass Spectra of Xylulose (1MEOX) (4TMS) MP

replica	lib entry date	detection	method	species
10	23 July 2012	MS-TOF	VAR5
8	10 December 2010	MS-TOF	VAR5
1	22 February 2005	MS-TOF	M[STR]
2	25 January 2005	MS-TOF	M[MOR]
9	03 November 2010		Schomburg_GC_2010
3	19 July 2007	MS-TOF	VAR5	Reference Substance
12	28 August 2012		MassBank GC 2010 Kusano
5	22 February 2005	MS-TOF	M[STR]
15	28 August 2012		MassBank GC 2010 Ara
16	28 August 2012		MassBank GC 2010 Ara
11 spectrum(a)
Page of 2 Results per page:

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Spectrum Details

analyte	Xylulose (1MEOX) (4TMS) MP
analyte InChI	InChI=1S/C18H45NO5Si4/c1-20-19-16(14-21-25(2,3)4)18(24-28(11,12)13)17(23-27(8,9)10)15-22-26(5,6)7/h17-18H,14-15H2,1-13H3/b19-16+/t17-,18-/m1/s1
analyte mass	467.9
chromatogram	6054hf_33
citation
authors	Boelling C, Liebig F, Erban A, 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	19 July 2007
metabolite role	MST
retention time (sec)	495.68
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	324,883
mass-intensity-peaks cardinality	460 intensities
minimal m/z	45
maximal m/z	997
download JCAMP DX	SpectrumJcampDx.ashx?id=7f29aae8-c110-4587-bbf3-e52e79c84e0f
download MSP	SpectrumMsp.ashx?id=7f29aae8-c110-4587-bbf3-e52e79c84e0f

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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