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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 
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
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
chromatogram1344EC26
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 date01 November 2001
metabolite roleMETB
retention time (sec) 
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 cardinality229 intensities
minimal m/z70
maximal m/z557
download JCAMP DXSpectrumJcampDx.ashx?id=2b125d07-b9d6-4e63-8451-032c313f1f3b
download MSPSpectrumMsp.ashx?id=2b125d07-b9d6-4e63-8451-032c313f1f3b

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II 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, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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