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Adipic acid (2TMS)


Replica Mass Spectra of Adipic acid (2TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
212 May 2005  M[NIST] 
1405 June 2013  MRI_2013 
419 July 2007 MS-TOFMDN35Reference Substance
1230 March 2011  Fiehn_GC_2010 
512 May 2005  M[NIST] 
1328 August 2012  MassBank GC 2010 Tsujimoto 
601 September 2001 MS-QuadM[2]Standard Addition
701 May 2001 MS-TOFM[EIGTMS]Standard Addition
1103 November 2010  Schomburg_GC_2010 
13 spectrum(a)
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Spectrum Details

analyteAdipic acid (2TMS)
analyte InChIInChI=1S/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
analyte mass290.5
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 date07 September 2004
metabolite roleCONT-METB
retention time (sec)1,271.34
retention index (VAR5 method, n-alkanes C10–C36)1,497.51 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality132 intensities
minimal m/z45
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=b2fe08f7-22a4-4eff-a82b-5c96b4d84c61
download MSPSpectrumMsp.ashx?id=b2fe08f7-22a4-4eff-a82b-5c96b4d84c61


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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