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Gluconic acid, 2-oxo- (1MEOX) (5TMS) BP

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Replica Mass Spectra of Gluconic acid, 2-oxo- (1MEOX) (5TMS) BP

replica	lib entry date	detection	method	species
1	15 March 2005	MS-TOF	M[6]	Reference Substance
3	01 July 2001	MS-Quad	M[2]	Standard
6	28 August 2012		MassBank GC 2010 Tsujimoto
4	19 July 2007	MS-TOF	VAR5	Reference Substance
5	01 November 2001	MS-TOF	M[EIGTMS]	Standard
5 spectrum(a)

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Spectrum Details

analyte	Gluconic acid, 2-oxo- (1MEOX) (5TMS) BP
analyte InChI	InChI=1S/C22H53NO7Si5/c1-25-23-19(22(24)30-35(14,15)16)21(29-34(11,12)13)20(28-33(8,9)10)18(27-32(5,6)7)17-26-31(2,3)4/h18,20-21H,17H2,1-16H3/b23-19+/t18-,20-,21-/m1/s1
analyte mass	584.09
chromatogram	6060hf_37
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	METB
retention time (sec)	578.43
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	42,119
mass-intensity-peaks cardinality	315 intensities
minimal m/z	45
maximal m/z	998
download JCAMP DX	SpectrumJcampDx.ashx?id=6fd26bf9-f09e-4a0f-805f-3aa4e2ad9b18
download MSP	SpectrumMsp.ashx?id=6fd26bf9-f09e-4a0f-805f-3aa4e2ad9b18

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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