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Uridine 5'-monophosphate (5TMS)

 

Replica Mass Spectra of Uridine 5'-monophosphate (5TMS)

replicalib entry datedetectionmethodspecies
215 March 2005 MS-TOFM[6]Reference Substance
1203 November 2010  Schomburg_GC_2010 
1330 March 2011  Fiehn_GC_2010 
512 May 2005  M[NIST] 
1430 March 2011  Fiehn_GC_2010 
819 July 2007 MS-TOFMDN35Reference Substance
1112 April 2010 MS-TOFVAR5Reference Substance
922 February 2005 MS-TOFM[STR] 
8 spectrum(a)
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Spectrum Details

analyteUridine 5'-monophosphate (5TMS)
analyte InChIInChI=1S/C24H53N2O10PSi5/c1-38(2,3)30-17-19-20(33-39(4,5)6)21(34-40(7,8)9)23(31-19)26-16-18(22(27)25-24(26)28)32-37(29,35-41(10,11)12)36-42(13,14)15/h16,19-21,23H,17H2,1-15H3,(H,25,27,28)/t19-,20-,21-,23-/m1/s1
analyte mass701.09
chromatogram4153GX24
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 date15 March 2005
metabolite roleMETB
retention time (sec)1,732.19
retention index (VAR5 method, n-alkanes C10–C36)2,852.25 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality204 intensities
minimal m/z70
maximal m/z598
download JCAMP DXSpectrumJcampDx.ashx?id=6f8b5ee6-9f02-4a1c-a84b-9668df1e389f
download MSPSpectrumMsp.ashx?id=6f8b5ee6-9f02-4a1c-a84b-9668df1e389f

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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