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Threitol (4TMS)

 

Replica Mass Spectra of Threitol (4TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
1128 August 2012  MassBank GC 2010 Tsujimoto 
319 July 2007 MS-TOFVAR5Reference Substance
1030 March 2011  Fiehn_GC_2010 
426 November 2004  M[FAME4090]Standard
1205 June 2013  MRI_2013 
501 January 2003 MS-QuadM[2]Standard
622 January 2005 MS-QUADM[ROE] 
701 May 2001 MS-TOFM[EIGTMS]Standard
801 September 2001 MS-QuadM[2]Standard Addition
11 spectrum(a)
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Spectrum Details

analyteThreitol (4TMS)
analyte InChIInChI=1S/C16H42O4Si4/c1-21(2,3)17-13-15(19-23(7,8)9)16(20-24(10,11)12)14-18-22(4,5)6/h15-16H,13-14H2,1-12H3
analyte mass410.84
chromatogram6037hf_14
citation 
authorsBoelling C, Liebig F, Erban 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 date19 July 2007
metabolite role 
retention time (sec)398.54
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity2,053,706
mass-intensity-peaks cardinality599 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=de2d5e7c-0411-4359-8ece-123399cb139d
download MSPSpectrumMsp.ashx?id=de2d5e7c-0411-4359-8ece-123399cb139d

GC-Method

nameMDN35
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
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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