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Acetic acid, 3-hydroxyphenyl- (2TMS)

 

Replica Mass Spectra of Acetic acid, 3-hydroxyphenyl- (2TMS)

replicalib entry datedetectionmethodspecies
405 June 2013  MRI_2013 
219 July 2007 MS-TOFVAR5Reference Substance
330 March 2011  Fiehn_GC_2010 
3 spectrum(a)
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Spectrum Details

analyteAcetic acid, 3-hydroxyphenyl- (2TMS)
analyte InChIInChI=1S/C14H24O3Si2/c1-18(2,3)16-13-9-7-8-12(10-13)11-14(15)17-19(4,5)6/h7-10H,11H2,1-6H3
analyte mass296.51
chromatogram6028hf_31
citation 
authorsBoelling C, Liebig F, Erban A, Kopka 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 date19 July 2007
metabolite role 
retention time (sec)522.04
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity2.349.304
mass-intensity-peaks cardinality295 intensities
minimal m/z45
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=16c95537-ff75-44eb-bb00-12ee4fb9e021
download MSPSpectrumMsp.ashx?id=16c95537-ff75-44eb-bb00-12ee4fb9e021

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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