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Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (5TMS)

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Replica Mass Spectra of Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (5TMS)

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	MDN35	Reference Substance
2	19 July 2007	MS-TOF	VAR5	Reference Substance
2 spectrum(a)

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Spectrum Details

analyte	Purine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (5TMS)
analyte InChI	InChI=1S/C33H61N5O5Si5/c1-44(2,3)38(21-25-19-17-16-18-20-25)32-27-31(34-23-35-32)37(24-36-27)33-30(43-48(13,14)15)29(42-47(10,11)12)28(41-46(7,8)9)26(40-33)22-39-45(4,5)6/h16-20,23-24,26,28-30,33H,21-22H2,1-15H3/t26-,28-,29+,30-,33-/m1/s1
analyte mass	748.3
chromatogram	4029BB15
citation
authors	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	07 September 2004
metabolite role	METB
retention time (sec)	2,745.3
retention index (VAR5 method, n-alkanes C10–C36)	3,337.81 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	313 intensities
minimal m/z	41
maximal m/z	584
download JCAMP DX	SpectrumJcampDx.ashx?id=923f8a38-ed28-44c7-8042-ddd94d6275be
download MSP	SpectrumMsp.ashx?id=923f8a38-ed28-44c7-8042-ddd94d6275be

GC-Method

name	M[2]
citation	Roessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detector	MS-Quad	m/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extraction	methanol:water (4:1; v/v); 15min70°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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