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Glutaric acid (2TMS)

 

Replica Mass Spectra of Glutaric acid (2TMS)

replicalib entry datedetectionmethodspecies
1728 August 2012  MassBank GC 2010 Tsujimoto 
1928 August 2012  MassBank GC 2010 Ara 
101 May 2001 MS-TOFM[EIGTMS]Standard Addition
211 September 2005  M[FAME4090]Standard
2105 June 2013  MRI_2013 
422 February 2005 MS-TOFM[STR] 
512 May 2005  M[NIST] 
611 September 2005  M[FAME4090]Standard
1828 August 2012  MassBank GC 2010 Tsujimoto 
715 March 2005 MS-TOFM[6]Reference Substance
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Spectrum Details

analyteGlutaric acid (2TMS)
analyte InChIInChI=1S/C11H24O4Si2/c1-16(2,3)14-10(12)8-7-9-11(13)15-17(4,5)6/h7-9H2,1-6H3
analyte mass276.48
chromatogram1344EC11
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 date01 November 2001
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,401.37 (predicted, according to Strehmel, N. et.al)
base peak (m/z)147
maximal intensity999
mass-intensity-peaks cardinality103 intensities
minimal m/z70
maximal m/z264
download JCAMP DXSpectrumJcampDx.ashx?id=73d58979-b876-4a9b-af7b-4e2b9aa6fa45
download MSPSpectrumMsp.ashx?id=73d58979-b876-4a9b-af7b-4e2b9aa6fa45

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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