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Glutaric acid, 2-oxo- (1MEOX) (2TMS) MP


Replica Mass Spectra of Glutaric acid, 2-oxo- (1MEOX) (2TMS) MP

replicalib entry datedetectionmethodspecies
2728 August 2012  MassBank GC 2010 Tsujimoto 
226 November 2004  M[FAME4090]Standard
2905 June 2013  MRI_2013 
301 December 2002 MS-QuadM[2]Cucurbita maxima
401 November 2001 MS-QuadM[2]Standard
501 February 2005 MS-TOFM[6]Reference Substance
601 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
2628 August 2012  MassBank GC 2010 Kusano 
722 February 2005 MS-TOFM[STR] 
812 May 2005  M[NIST] 
27 spectrum(a)
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Spectrum Details

analyteGlutaric acid, 2-oxo- (1MEOX) (2TMS) MP
analyte InChIInChI=1S/C12H25NO5Si2/c1-16-13-10(12(15)18-20(5,6)7)8-9-11(14)17-19(2,3)4/h8-9H2,1-7H3/b13-10-
analyte mass319.5
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 January 2002
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,569.27 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality503 intensities
minimal m/z70
maximal m/z598
download JCAMP DXSpectrumJcampDx.ashx?id=924e56ca-34f9-4381-ba3f-198bf7af4486
download MSPSpectrumMsp.ashx?id=924e56ca-34f9-4381-ba3f-198bf7af4486


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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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