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Adipic acid, 2-amino- (3TMS)

 

Replica Mass Spectra of Adipic acid, 2-amino- (3TMS)

replicalib entry datedetectionmethodspecies
1828 August 2012  MassBank GC 2010 Tsujimoto 
125 January 2005 MS-TOFM[MOR] 
201 May 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
1703 November 2010  Schomburg_GC_2010 
312 May 2005  M[NIST] 
419 July 2007 MS-TOFVAR5Reference Substance
512 May 2005  M[NIST] 
1905 June 2013  MRI_2013 
701 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
826 November 2004  M[FAME4090]Standard
16 spectrum(a)
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Spectrum Details

analyteAdipic acid, 2-amino- (3TMS)
analyte InChIInChI=1S/C15H35NO4Si3/c1-21(2,3)16-13(15(18)20-23(7,8)9)11-10-12-14(17)19-22(4,5)6/h13,16H,10-12H2,1-9H3/t13-/m1/s1
analyte mass377.7
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)1,617.6
retention index (VAR5 method, n-alkanes C10–C36)1.711,32 (predicted, according to Strehmel, N. et.al)
base peak (m/z)260
maximal intensity999
mass-intensity-peaks cardinality139 intensities
minimal m/z54
maximal m/z526
download JCAMP DXSpectrumJcampDx.ashx?id=14d10cab-4abe-4263-b65f-6df4af294777
download MSPSpectrumMsp.ashx?id=14d10cab-4abe-4263-b65f-6df4af294777

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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