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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 
908 December 2010 MS-TOFVAR5 
501 May 2001 MS-TOFM[EIGTMS]Standard
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
chromatogram6037hf_33
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)533.28
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1,178,678
mass-intensity-peaks cardinality412 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=93028f6a-04f9-4214-bf7d-92da98cdfbbf
download MSPSpectrumMsp.ashx?id=93028f6a-04f9-4214-bf7d-92da98cdfbbf

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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