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Thymine (2TMS)

 

Replica Mass Spectra of Thymine (2TMS)

replicalib entry datedetectionmethodspecies
2407 September 2012 MS-TOFVAR5 
2028 August 2012  MassBank GC 2010 Tsujimoto 
2206 September 2012 MS-TOFVAR5 
2307 September 2012 MS-TOFVAR5 
126 November 2004  M[FAME4090]Standard
1928 August 2012  MassBank GC 2010 Kusano 
416 December 2003 MS-QuadM[2]Standard
522 February 2005 MS-TOFM[STR] 
812 May 2005  M[NIST] 
1830 March 2011  Fiehn_GC_2010 
20 spectrum(a)
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Spectrum Details

analyteThymine (2TMS)
analyte InChIInChI=1S/C11H22N2O2Si2/c1-9-8-12(16(2,3)4)11(15)13(10(9)14)17(5,6)7/h8H,1-7H3
analyte mass270.48
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-METB
retention time (sec)1,116.3
retention index (VAR5 method, n-alkanes C10–C36)1,397.65 (predicted, according to Strehmel, N. et.al)
base peak (m/z)270
maximal intensity999
mass-intensity-peaks cardinality186 intensities
minimal m/z40
maximal m/z417
download JCAMP DXSpectrumJcampDx.ashx?id=6cd2173d-3066-49da-8fae-6c4c96cf167b
download MSPSpectrumMsp.ashx?id=6cd2173d-3066-49da-8fae-6c4c96cf167b

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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