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Benzoic acid, 4-amino- (2TMS)

 

Replica Mass Spectra of Benzoic acid, 4-amino- (2TMS)

replicalib entry datedetectionmethodspecies
1405 June 2013  MRI_2013 
101 February 2005 MS-TOFM[6]Reference Substance
212 May 2005  M[NIST] 
1230 March 2011  Fiehn_GC_2010 
315 March 2005 MS-TOFM[6]Reference Substance
419 July 2007 MS-TOFVAR5Reference Substance
501 January 2002 MS-TOFM[EIGTMS]Standard
612 May 2005  M[NIST] 
1103 November 2010  Schomburg_GC_2010 
726 November 2004  M[FAME4090]Standard
12 spectrum(a)
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Spectrum Details

analyteBenzoic acid, 4-amino- (2TMS)
analyte InChIInChI=1S/C13H23NO2Si2/c1-17(2,3)14-12-9-7-11(8-10-12)13(15)16-18(4,5)6/h7-10,14H,1-6H3
analyte mass281.5
chromatogram6060hf_38
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 roleMETB
retention time (sec)634.43
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity226,962
mass-intensity-peaks cardinality277 intensities
minimal m/z45
maximal m/z979
download JCAMP DXSpectrumJcampDx.ashx?id=e5cb9243-22aa-4845-9b42-bcc8e05a406c
download MSPSpectrumMsp.ashx?id=e5cb9243-22aa-4845-9b42-bcc8e05a406c

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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