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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 
211 September 2005  M[FAME4090]Standard
301 November 2001 MS-TOFM[EIGTMS]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
chromatogram1135EC44
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 May 2001
metabolite roleMETB
retention time (sec)505.46
retention index (VAR5 method, n-alkanes C10–C36)1,401.37 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality70 intensities
minimal m/z70
maximal m/z263
download JCAMP DXSpectrumJcampDx.ashx?id=0403b577-b887-45a5-8766-12e645f3724d
download MSPSpectrumMsp.ashx?id=0403b577-b887-45a5-8766-12e645f3724d

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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