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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
612 October 2005 MS-TRAPM[BAR] 
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
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
chromatogram4139GX3
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date01 February 2005
metabolite roleMETB
retention time (sec)1,656.83
retention index (VAR5 method, n-alkanes C10–C36)2.672,43 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality282 intensities
minimal m/z70
maximal m/z558
download JCAMP DXSpectrumJcampDx.ashx?id=ce161672-4891-4abe-97c7-747cddcabf2a
download MSPSpectrumMsp.ashx?id=ce161672-4891-4abe-97c7-747cddcabf2a

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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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