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Gluconic acid, 2-amino-2-deoxy- (7TMS)

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Replica Mass Spectra of Gluconic acid, 2-amino-2-deoxy- (7TMS)

replica	lib entry date	detection	method	species
5	30 March 2011		Fiehn_GC_2010
1	19 July 2007	MS-TOF	VAR5	Reference Substance
3	26 November 2004		M[FAME4090]	Standard
6	30 March 2011		Fiehn_GC_2010
4	07 September 2004	MS-Quad	M[2]	Standard
5 spectrum(a)

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Spectrum Details

analyte	Gluconic acid, 2-amino-2-deoxy- (7TMS)
analyte InChI	InChI=1S/C27H69NO6Si7/c1-35(2,3)28(36(4,5)6)24(27(29)34-41(19,20)21)26(33-40(16,17)18)25(32-39(13,14)15)23(31-38(10,11)12)22-30-37(7,8)9/h23-26H,22H2,1-21H3/t23-,24-,25-,26-/m1/s1
analyte mass	700.44
chromatogram	6046hf_55
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)	625.63
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	511,439
mass-intensity-peaks cardinality	365 intensities
minimal m/z	45
maximal m/z	948
download JCAMP DX	SpectrumJcampDx.ashx?id=8a710e32-33c7-4254-893a-166e730e954e
download MSP	SpectrumMsp.ashx?id=8a710e32-33c7-4254-893a-166e730e954e

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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