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Ornithine, N2-acetyl- (3TMS)

 

Replica Mass Spectra of Ornithine, N2-acetyl- (3TMS)

replicalib entry datedetectionmethodspecies
101 June 2001 MS-TOFM[EIGTMS]Standard
219 July 2007 MS-TOFVAR5Reference Substance
628 August 2012  MassBank GC 2010 Tsujimoto 
530 March 2011  Fiehn_GC_2010 
426 November 2004  M[FAME4090]Standard
5 spectrum(a)
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Spectrum Details

analyteOrnithine, N2-acetyl- (3TMS)
analyte InChIInChI=1S/C16H38N2O3Si3/c1-14(19)17-15(16(20)21-24(8,9)10)12-11-13-18(22(2,3)4)23(5,6)7/h15H,11-13H2,1-10H3,(H,17,19)/t15-/m0/s1
analyte mass390.74
chromatogram6080hf_22
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 roleMST
retention time (sec)675.2
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity547.261
mass-intensity-peaks cardinality467 intensities
minimal m/z45
maximal m/z999
download JCAMP DXSpectrumJcampDx.ashx?id=66ae5e6f-6d2f-4050-9eb1-e024fcba5b76
download MSPSpectrumMsp.ashx?id=66ae5e6f-6d2f-4050-9eb1-e024fcba5b76

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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