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Cinnamic acid, 4-hydroxy-, trans- (2TMS)

 

Replica Mass Spectra of Cinnamic acid, 4-hydroxy-, trans- (2TMS)

replicalib entry datedetectionmethodspecies
1928 August 2012  MassBank GC 2010 Tsujimoto 
2005 June 2013  MRI_2013 
115 March 2005 MS-TOFM[6]Reference Substance
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
412 May 2005  M[NIST] 
501 December 2002 MS-QuadM[2]Cucurbita pepo
612 May 2005  M[NIST] 
1830 March 2011  Fiehn_GC_2010 
712 May 2005  M[NIST] 
901 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
18 spectrum(a)
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Spectrum Details

analyteCinnamic acid, 4-hydroxy-, trans- (2TMS)
analyte InChIInChI=1S/C15H24O3Si2/c1-19(2,3)17-14-10-7-13(8-11-14)9-12-15(16)18-20(4,5)6/h7-12H,1-6H3/b12-9+
analyte mass308.52
chromatogram4157GX21
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)1,224.55
retention index (VAR5 method, n-alkanes C10–C36)1.941,97 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality174 intensities
minimal m/z70
maximal m/z312
download JCAMP DXSpectrumJcampDx.ashx?id=9ef28f3d-c4a7-496b-89cd-693e8bcf83cb
download MSPSpectrumMsp.ashx?id=9ef28f3d-c4a7-496b-89cd-693e8bcf83cb

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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