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Adenosine, alpha- (4TMS) MP


Replica Mass Spectra of Adenosine, alpha- (4TMS) MP

replicalib entry datedetectionmethodspecies
1628 August 2012  MassBank GC 2010 Ara 
101 November 2001 MS-TOFM[EIGTMS]Standard
1528 August 2012  MassBank GC 2010 Tsujimoto 
1428 August 2012  MassBank GC 2010 Kusano 
715 December 2003 MS-QuadM[2]Standard Addition
219 July 2007 MS-TOFVAR5Reference Substance
319 July 2007 MS-TOFMDN35Reference Substance
401 February 2005 MS-TOFM[6]Reference Substance
812 May 2005  M[NIST] 
901 May 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
15 spectrum(a)
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Spectrum Details

analyteAdenosine, alpha- (4TMS) MP
analyte InChIInChI=1S/C22H45N5O4Si4/c1-32(2,3)26-20-17-21(24-14-23-20)27(15-25-17)22-19(31-35(10,11)12)18(30-34(7,8)9)16(29-22)13-28-33(4,5)6/h14-16,18-19,22H,13H2,1-12H3,(H,23,24,26)/t16-,18-,19-,22+/m1/s1
analyte mass555.97
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
retention time (sec)2,637.6
retention index (VAR5 method, n-alkanes C10–C36)2.672,43 (predicted, according to Strehmel, N. et.al)
base peak (m/z)236
maximal intensity999
mass-intensity-peaks cardinality169 intensities
minimal m/z51
maximal m/z543
download JCAMP DXSpectrumJcampDx.ashx?id=c546a666-1780-41ed-b243-26ad40ce8eeb
download MSPSpectrumMsp.ashx?id=c546a666-1780-41ed-b243-26ad40ce8eeb


citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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