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Quercetin (5TMS)

 

Replica Mass Spectra of Quercetin (5TMS)

replicalib entry datedetectionmethodspecies
212 May 2005  M[NIST] 
401 May 2003 MS-QuadM[2]Standard
725 January 2005 MS-TOFM[MOR] 
919 July 2007 MS-TOFVAR5Reference Substance
4 spectrum(a)
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Spectrum Details

analyteQuercetin (5TMS)
analyte InChIInChI=1S/C30H50O7Si5/c1-38(2,3)33-22-19-25-27(26(20-22)36-41(10,11)12)28(31)30(37-42(13,14)15)29(32-25)21-16-17-23(34-39(4,5)6)24(18-21)35-40(7,8)9/h16-20H,1-15H3
analyte mass663.14
chromatogram6039hf_58
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 roleMETB
retention time (sec)1,046.99
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity205.515
mass-intensity-peaks cardinality766 intensities
minimal m/z45
maximal m/z995
download JCAMP DXSpectrumJcampDx.ashx?id=d40189cf-dba9-423b-9f46-b089bb7f4dbf
download MSPSpectrumMsp.ashx?id=d40189cf-dba9-423b-9f46-b089bb7f4dbf

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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