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Isoleucine (2TMS)

 

Replica Mass Spectra of Isoleucine (2TMS)

replicalib entry datedetectionmethodspecies
111 September 2005  M[FAME4090]Standard
3528 August 2012  MassBank GC 2010 Tsujimoto 
201 June 2001 MS-TOFM[EIGTMS]Reference Substance
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
401 September 2001 MS-QuadM[2]Standard Addition
501 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
719 January 2005 MS-QUADM[ROE] 
812 May 2005  M[NIST] 
901 May 2001 MS-TOFM[EIGTMS]Standard
1022 February 2005 MS-TOFM[STR] 
34 spectrum(a)
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Spectrum Details

analyteIsoleucine (2TMS)
analyte InChIInChI=1S/C12H29NO2Si2/c1-9-10(2)11(13-16(3,4)5)12(14)15-17(6,7)8/h10-11,13H,9H2,1-8H3/t10-,11-/m0/s1
analyte mass275.54
chromatogramNA(_27)
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
retention time (sec)988.2
retention index (VAR5 method, n-alkanes C10–C36)1.288,09 (predicted, according to Strehmel, N. et.al)
base peak (m/z)158
maximal intensity999
mass-intensity-peaks cardinality97 intensities
minimal m/z56
maximal m/z511
download JCAMP DXSpectrumJcampDx.ashx?id=4cf97309-620d-4ca1-a3ce-2e4f8fdee5f7
download MSPSpectrumMsp.ashx?id=4cf97309-620d-4ca1-a3ce-2e4f8fdee5f7

GC-Method

nameM[BAR]
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
partitioningnone 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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