GOLM METABOLOME DATABASE
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

Indole-3-acetic acid (2TMS)

 

Replica Mass Spectra of Indole-3-acetic acid (2TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
229 November 2003 MS-QuadM[2]Standard
319 July 2007 MS-TOFVAR5Reference Substance
401 December 2003 MS-QuadM[2]Standard
528 June 2002 MS-QuadM[7]Standard
601 February 2005 MS-TOFM[6]Reference Substance
712 May 2005  M[NIST] 
1828 August 2012  MassBank GC 2010 Kusano 
802 December 2003 MS-QuadM[2]Standard
2228 August 2012  MassBank GC 2010 Ara 
19 spectrum(a)
    of 2    
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteIndole-3-acetic acid (2TMS)
analyte InChIInChI=1S/C16H25NO2Si2/c1-20(2,3)17-12-13(11-16(18)19-21(4,5)6)14-9-7-8-10-15(14)17/h7-10,12H,11H2,1-6H3
analyte mass319.55
chromatogram9183gx_7
citationNA
authorsKuczmierczyk M, 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 date09 July 2009
metabolite role 
retention time (sec)1,147.76
retention index (VAR5 method, n-alkanes C10–C36)1,968.06 (observed)
base peak (m/z)73
maximal intensity187,639
mass-intensity-peaks cardinality189 intensities
minimal m/z70
maximal m/z499
download JCAMP DXSpectrumJcampDx.ashx?id=f396e007-b27f-4b57-8739-4639de5ab531
download MSPSpectrumMsp.ashx?id=f396e007-b27f-4b57-8739-4639de5ab531

GC-Method

nameVAR5
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
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
protocolpropertyvalue
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
deconvolutionsoftwareChromaTOF
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
Name:
 
Website:
Email:
Comments:
service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
Top