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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
1509 July 2009 MS-TOFVAR5na
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)
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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
chromatogram1235DW02
citationBirkemeyer C, Kolasa A, Kopka J (2003) J Chromatogr A 993, 89-102
authorsBirkemeyer C, Kolasa A, 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 date28 June 2002
metabolite roleMETB
retention time (sec)1,807.44
retention index (VAR5 method, n-alkanes C10–C36)1.970,47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)202
maximal intensity999
mass-intensity-peaks cardinality135 intensities
minimal m/z70
maximal m/z323
download JCAMP DXSpectrumJcampDx.ashx?id=63dd40ee-61ba-49fd-b888-36bba943fdec
download MSPSpectrumMsp.ashx?id=63dd40ee-61ba-49fd-b888-36bba943fdec

GC-Method

nameM[7]
citationBirkemeyer C, Kolasa A, Kopka J (2003) J Chromatogr A 993, 89-102
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationTMSTrimethylsilylation:30min90°C
detectorMS-QuadMZ:40-600; SCANS:2/s; MD 800; Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
partitioningnone 
RIRT 
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, DB-5ms, #NA (Agilent, Waldbronn, Germany); PROGRAM:iso1min70°C, ramp6°C/min, iso1min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:260°C; IONSOURCE:230°C

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