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Caproic acid, 6-amino- (3TMS)

 

Replica Mass Spectra of Caproic acid, 6-amino- (3TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
226 November 2004  M[FAME4090]Standard
708 December 2010 MS-TOFVAR5 
319 July 2007 MS-TOFVAR5Reference Substance
1028 August 2012  MassBank GC 2010 Kusano 
808 December 2010 MS-TOFVAR5 
1128 August 2012  MassBank GC 2010 Ara 
419 July 2007 MS-TOFMDN35Reference Substance
908 December 2010 MS-TOFVAR5 
612 May 2005  M[NIST] 
10 spectrum(a)
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Spectrum Details

analyteCaproic acid, 6-amino- (3TMS)
analyte InChIInChI=1S/C15H37NO2Si3/c1-19(2,3)16(20(4,5)6)14-12-10-11-13-15(17)18-21(7,8)9/h10-14H2,1-9H3
analyte mass347.72
chromatogram1135EC00
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)674
retention index (VAR5 method, n-alkanes C10–C36)1,721.53 (predicted, according to Strehmel, N. et.al)
base peak (m/z)174
maximal intensity999
mass-intensity-peaks cardinality109 intensities
minimal m/z73
maximal m/z347
download JCAMP DXSpectrumJcampDx.ashx?id=b6ef1b24-c43e-4421-a717-ae21404a8d51
download MSPSpectrumMsp.ashx?id=b6ef1b24-c43e-4421-a717-ae21404a8d51

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
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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