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Pyroglutamic acid (2TMS)

 

Replica Mass Spectra of Pyroglutamic acid (2TMS)

replicalib entry datedetectionmethodspecies
109 December 2004 MS-TOFM[6]Oryza sativa
701 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
2 spectrum(a)
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Spectrum Details

analytePyroglutamic acid (2TMS)
analyte InChI
analyte mass278
chromatogram4324GX59
citation 
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 date09 December 2004
metabolite roleIS (QUAN)
retention time (sec)951.87
retention index (VAR5 method, n-alkanes C10–C36)1,519.59 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality115 intensities
minimal m/z70
maximal m/z283
download JCAMP DXSpectrumJcampDx.ashx?id=f67e3817-8b79-4bb9-b428-1c70f1052ed1
download MSPSpectrumMsp.ashx?id=f67e3817-8b79-4bb9-b428-1c70f1052ed1

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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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