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

 

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

replicalib entry datedetectionmethodspecies
101 December 2003 MS-QuadM[2]Standard
319 July 2007 MS-TOFVAR5Reference Substance
419 July 2007 MS-TOFMDN35Reference Substance
507 September 2004 MS-QuadM[2]Standard
4 spectrum(a)
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Spectrum Details

analytePurine, 6-benzylamino-, 9-beta-D-glucopyranosyl- (4TMS)
analyte InChIInChI=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 mass676.12
chromatogram3237BF25
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
authorsKopka 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 date29 November 2003
metabolite roleMETB
retention time (sec)2,875.2
retention index (VAR5 method, n-alkanes C10–C36)3.462,51 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality160 intensities
minimal m/z41
maximal m/z572
download JCAMP DXSpectrumJcampDx.ashx?id=4872320f-6b40-4e99-9849-0c0fea95ade3
download MSPSpectrumMsp.ashx?id=4872320f-6b40-4e99-9849-0c0fea95ade3

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN: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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