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Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (4TMS)

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Replica Mass Spectra of Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (4TMS)

replica	lib entry date	detection	method	species
1	01 December 2003	MS-Quad	M[2]	Standard
2	29 November 2003	MS-Quad	M[2]	Standard
3	19 July 2007	MS-TOF	VAR5	Reference Substance
5	07 September 2004	MS-Quad	M[2]	Standard
4 spectrum(a)

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Spectrum Details

analyte	Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (4TMS)
analyte InChI	InChI=1S/C30H53N5O5Si4/c1-41(2,3)36-19-23-25(38-42(4,5)6)26(39-43(7,8)9)27(40-44(10,11)12)30(37-23)35-21-34-24-28(32-20-33-29(24)35)31-18-22-16-14-13-15-17-22/h13-17,20-21,23,25-27,30H,18-19H2,1-12H3,(H,31,32,33)/t23-,25-,26+,27-,30-/m1/s1
analyte mass	676.12
chromatogram	6087hf_29
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)	1,144.39
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	717,892
mass-intensity-peaks cardinality	511 intensities
minimal m/z	45
maximal m/z	998
download JCAMP DX	SpectrumJcampDx.ashx?id=f083b528-494c-48fa-8580-5cc52d2fea5d
download MSP	SpectrumMsp.ashx?id=f083b528-494c-48fa-8580-5cc52d2fea5d

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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