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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] 
815 March 2005 MS-TOFM[6]Reference Substance
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
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 date01 May 2001
metabolite roleMETB
retention time (sec)760.6
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 cardinality125 intensities
minimal m/z70
maximal m/z470
download JCAMP DXSpectrumJcampDx.ashx?id=70590a35-7e6e-4d3e-9e76-6e3ceb4db6d9
download MSPSpectrumMsp.ashx?id=70590a35-7e6e-4d3e-9e76-6e3ceb4db6d9


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II 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, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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