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Alanine, beta- (3TMS)

 

Replica Mass Spectra of Alanine, beta- (3TMS)

replicalib entry datedetectionmethodspecies
2230 March 2011  Fiehn_GC_2010 
2428 August 2012  MassBank GC 2010 Kusano 
2805 June 2013  MRI_2013 
216 June 2005 MS-TOFM[STR] 
312 October 2005 MS-TRAPM[BAR] 
2528 August 2012  MassBank GC 2010 Ara 
401 December 2003 MS-QuadM[2]Standard Addition
601 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
712 May 2005  M[NIST] 
811 September 2005  M[FAME4090]Standard
25 spectrum(a)
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Spectrum Details

analyteAlanine, beta- (3TMS)
analyte InChIInChI=1S/C12H31NO2Si3/c1-16(2,3)13(17(4,5)6)11-10-12(14)15-18(7,8)9/h10-11H2,1-9H3
analyte mass305.64
chromatogram6032hf_42
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)383.69
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1,488,919
mass-intensity-peaks cardinality339 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=1aa90ed0-c205-4df5-8701-0a8d1a618570
download MSPSpectrumMsp.ashx?id=1aa90ed0-c205-4df5-8701-0a8d1a618570

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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