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Thymidine (2TMS)

 

Replica Mass Spectra of Thymidine (2TMS)

replicalib entry datedetectionmethodspecies
314 April 2010 MS-TOFVAR5Reference Substance
430 March 2011  Fiehn_GC_2010 
206 October 2004 MS-QuadM[2]Reference Substance
530 March 2011  Fiehn_GC_2010 
4 spectrum(a)
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Spectrum Details

analyteThymidine (2TMS)
analyte InChIInChI=1S/C16H30N2O5Si2/c1-11-9-18(16(20)17-15(11)19)14-8-12(23-25(5,6)7)13(22-14)10-21-24(2,3)4/h9,12-14H,8,10H2,1-7H3,(H,17,19,20)/t12-,13?,14+/m0/s1
analyte mass386.59
chromatogram3225BF27
citation 
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 date06 October 2004
metabolite roleMETB
retention time (sec)2,143.08
retention index (VAR5 method, n-alkanes C10–C36)2.402,63 (predicted, according to Strehmel, N. et.al)
base peak (m/z)103
maximal intensity999
mass-intensity-peaks cardinality191 intensities
minimal m/z40
maximal m/z387
download JCAMP DXSpectrumJcampDx.ashx?id=f3e2955a-1df3-4586-8339-0ab35a1f9ec6
download MSPSpectrumMsp.ashx?id=f3e2955a-1df3-4586-8339-0ab35a1f9ec6

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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