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Glucose-6-phosphate, 2-amino-2-deoxy- (6TMS)

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Replica Mass Spectra of Glucose-6-phosphate, 2-amino-2-deoxy- (6TMS)

replica	lib entry date	detection	method
6	22 February 2005	MS-TOF	M[STR]
7	12 May 2005		M[NIST]
1	22 February 2005	MS-TOF	M[STR]
8	22 February 2005	MS-TOF	M[STR]
11	03 November 2010		Schomburg_GC_2010
9	22 February 2005	MS-TOF	M[STR]
4	22 February 2005	MS-TOF	M[STR]
5	22 February 2005	MS-TOF	M[STR]
8 spectrum(a)

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Spectrum Details

analyte	Glucose-6-phosphate, 2-amino-2-deoxy- (6TMS)
analyte InChI	InChI=1S/C24H62NO8PSi6/c1-35(2,3)25-24-23(31-38(10,11)12)22(30-37(7,8)9)21(29-36(4,5)6)20(28-24)19-27-34(26,32-39(13,14)15)33-40(16,17)18/h20-25H,19H2,1-18H3/t20-,21-,22+,23-,24?/m1/s1
analyte mass	692.24
chromatogram	6069hf_52
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)	781.09
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	48,643
mass-intensity-peaks cardinality	331 intensities
minimal m/z	45
maximal m/z	843
download JCAMP DX	SpectrumJcampDx.ashx?id=1df581c5-db48-47c6-8a18-ae7c5b61432c
download MSP	SpectrumMsp.ashx?id=1df581c5-db48-47c6-8a18-ae7c5b61432c

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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