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Asparagine (3TMS)

 

Replica Mass Spectra of Asparagine (3TMS)

replicalib entry datedetectionmethodspecies
101 September 2001 MS-QuadM[2]Standard Addition
201 June 2001 MS-TOFM[EIGTMS]Standard
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
419 July 2007 MS-TOFVAR5Reference Substance
2830 March 2011  Fiehn_GC_2010 
2928 August 2012  MassBank GC 2010 Kusano 
525 January 2005 MS-TOFM[MOR] 
601 May 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
801 December 2003 MS-QuadM[2]Standard
912 May 2005  M[NIST] 
30 spectrum(a)
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Spectrum Details

analyteAsparagine (3TMS)
analyte InChIInChI=1S/C13H32N2O3Si3/c1-19(2,3)14-11(13(17)18-21(7,8)9)10-12(16)15-20(4,5)6/h11,14H,10H2,1-9H3,(H,15,16)/t11-/m0/s1
analyte mass348.66
chromatogram6082hf_60
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)533.34
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity426.000
mass-intensity-peaks cardinality304 intensities
minimal m/z45
maximal m/z981
download JCAMP DXSpectrumJcampDx.ashx?id=31e33073-123b-4d54-acd8-31fe9425dcc4
download MSPSpectrumMsp.ashx?id=31e33073-123b-4d54-acd8-31fe9425dcc4

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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