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Glycylglycine (3TMS)

 

Replica Mass Spectra of Glycylglycine (3TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
226 November 2004  M[FAME4090]Standard
607 April 2011 MS-TOFVAR5 
928 August 2012  MassBank GC 2010 Tsujimoto 
506 April 2011 MS-TOFVAR5 
312 February 2010 MS-TOFVAR5 
828 August 2012  MassBank GC 2010 Kusano 
706 May 2011 MS-TOFVAR5 
8 spectrum(a)
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Spectrum Details

analyteGlycylglycine (3TMS)
analyte InChIInChI=1S/C13H32N2O3Si3/c1-19(2,3)15(20(4,5)6)11-12(16)14-10-13(17)18-21(7,8)9/h10-11H2,1-9H3,(H,14,16)
analyte mass348.66
chromatogram10294eg_23
citationNA
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 date12 March 2010
metabolite role 
retention time (sec)622.28
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)174
maximal intensity111,182
mass-intensity-peaks cardinality323 intensities
minimal m/z85
maximal m/z498
download JCAMP DXSpectrumJcampDx.ashx?id=3451cd95-2e74-472c-b748-1e528b72a772
download MSPSpectrumMsp.ashx?id=3451cd95-2e74-472c-b748-1e528b72a772

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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