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Ribulose (1MEOX) (4TMS) MP

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

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	VAR5	Reference Substance
2	19 July 2007	MS-TOF	MDN35	Reference Substance
3	19 July 2007	MS-TOF	VAR5	Reference Substance
7	28 August 2012		MassBank GC 2010 Tsujimoto
6	03 November 2010		Schomburg_GC_2010
5	03 February 2011	MS-TOF	VAR5
6 spectrum(a)

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Spectrum Details

analyte	Ribulose (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_6
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
retention time (sec)	495.24
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	177,167
mass-intensity-peaks cardinality	279 intensities
minimal m/z	45
maximal m/z	994
download JCAMP DX	SpectrumJcampDx.ashx?id=ab450c61-3ab4-410a-9469-acbcf5ab8770
download MSP	SpectrumMsp.ashx?id=ab450c61-3ab4-410a-9469-acbcf5ab8770

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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