How would you rate the quality of this mass spectrum?
poor, not helpful 
 outstanding, most helpful.
This spectrum was 0 times rated; on average=0.0

Ethanolamine (3TMS)


Replica Mass Spectra of Ethanolamine (3TMS)

replicalib entry datedetectionmethodspecies
1117 March 2010 MS-TOFVAR5Solanum tuberosum
2105 June 2013  MRI_2013 
101 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
201 December 2003 MS-QuadM[2]Standard Addition
301 May 2001 MS-TOFM[EIGTMS]Standard Addition
412 May 2005  M[NIST] 
1728 August 2012  MassBank GC 2010 Tsujimoto 
501 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
2006 September 2012 MS-TOFVAR5 
1828 August 2012  MassBank GC 2010 Ara 
19 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteEthanolamine (3TMS)
analyte InChIInChI=1S/C11H31NOSi3/c1-14(2,3)12(15(4,5)6)10-11-13-16(7,8)9/h10-11H2,1-9H3
analyte mass277.63
authorsZoehrer H, Strehmel N, Kopka 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 date17 March 2010
metabolite role 
retention time (sec)598.51
retention index (VAR5 method, n-alkanes C10–C36)1,260.18 (observed)
base peak (m/z)174
maximal intensity705,649
mass-intensity-peaks cardinality230 intensities
minimal m/z70
maximal m/z598
download JCAMP DXSpectrumJcampDx.ashx?id=23e90ed9-2822-4ec7-adf5-25fe5ab9ec15
download MSPSpectrumMsp.ashx?id=23e90ed9-2822-4ec7-adf5-25fe5ab9ec15


citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
deconvolutionChromaTOFOFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2
derivatizationMEOX; TMSMETHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer
extractionwater:chloroform (2:1; v/v) 15min at 70°C
gas chromatographAgilent GC 6890 
ion sourceEI70eV
mass spectrometry instrumentPegasus III TOF mass spectrometer 
metabolic inactivationshock-frozen in liquid nitrogen 
RIALKANEC10, C12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C
extractionwater chloroform(2:1; v/v) 15min at 70°C
derivatizationderivatisationMETHOXYAMINATION, 90min at 30°C
derivatizationderivatisationTRIMETHYLSILYLATION, 30min at 37°C
separationIon source temperature250°C
separationColumn length30+10m (analytical column + guard column)
separationColumn inner diameter0.25mm
separationTemperature programisotherm 1min 70°C, ramp 9°C/min, isotherm 5min 350°C
ion sourceelectron ionization70eV
detectorLECO instrument modelPegasus III TOF mass spectrometer
detectorhighest observed m/zm/z = 600
detectorlowest observed m/zm/z = 70
detectorsampling frequency20 scans/s
detectormass analyzer typeMS-TOF
deconvolutionmoving average smoothing20
deconvolutionsignal-to-noise ratio2
RIRetention indexdecane
RIRetention indexdodecane
RIRetention indexpentadecane
RIRetention indexoctadecane
RIRetention indexnonadecane
RIRetention indexdocosane
RIRetention indexoctacosane
RIRetention indexdotriacontane
RIRetention indexhexatriacontane
ChromatographyChromatographyAgilent GC 6890

comments on this mass spectrum

Post a Comment
service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved