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Nonadecanoic acid methyl ester


Replica Mass Spectra of Nonadecanoic acid methyl ester

replicalib entry datedetectionmethodspecies
1228 August 2012  MassBank GC 2010 Ara 
1328 August 2012  MassBank GC 2010 Ara 
1103 November 2010  Schomburg_GC_2010 
211 September 2005  M[FAME4090]Standard
307 September 2004 MS-TOFM[6]Saccharomyces cerevisiae
411 September 2005  M[FAME4090]Standard
511 September 2005  M[FAME4090]Standard
622 February 2005 MS-TOFM[STR] 
1428 August 2012  MassBank GC 2010 Ara 
701 October 2001 MS-TOFM[EIGTMS]Standard Addition
13 spectrum(a)
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Spectrum Details

analyteNonadecanoic acid methyl ester
analyte InChIInChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
analyte mass312.53
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 roleIS (RI35)
retention time (sec)866.63
retention index (VAR5 method, n-alkanes C10–C36)2,230.2 (predicted, according to Strehmel, N. et.al)
base peak (m/z)74
maximal intensity999
mass-intensity-peaks cardinality60 intensities
minimal m/z70
maximal m/z313
download JCAMP DXSpectrumJcampDx.ashx?id=925b9234-b9cf-4391-8a32-05ba5b2ab4d2
download MSPSpectrumMsp.ashx?id=925b9234-b9cf-4391-8a32-05ba5b2ab4d2


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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