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Proline, 4-hydroxy-, trans- (3TMS)


Replica Mass Spectra of Proline, 4-hydroxy-, trans- (3TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
2028 August 2012  MassBank GC 2010 Ara 
1630 March 2011  Fiehn_GC_2010 
311 September 2005  M[FAME4090]Standard
1828 August 2012  MassBank GC 2010 Tsujimoto 
1928 August 2012  MassBank GC 2010 Tsujimoto 
1503 November 2010  Schomburg_GC_2010 
412 May 2005  M[NIST] 
2105 June 2013  MRI_2013 
1728 August 2012  MassBank GC 2010 Kusano 
20 spectrum(a)
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Spectrum Details

analyteProline, 4-hydroxy-, trans- (3TMS)
analyte InChIInChI=1S/C14H33NO3Si3/c1-19(2,3)15-11-12(17-20(4,5)6)10-13(15)14(16)18-21(7,8)9/h12-13H,10-11H2,1-9H3/t12-,13+/m1/s1
analyte mass347.67
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)917.45
retention index (VAR5 method, n-alkanes C10–C36)1.518,89 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality164 intensities
minimal m/z70
maximal m/z348
download JCAMP DXSpectrumJcampDx.ashx?id=fca71118-53c6-4498-a828-1c8a0ee5d0d7
download MSPSpectrumMsp.ashx?id=fca71118-53c6-4498-a828-1c8a0ee5d0d7


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
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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