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4-Hydroxyphenyl-beta-glucopyranoside (5TMS)

 

Replica Mass Spectra of 4-Hydroxyphenyl-beta-glucopyranoside (5TMS)

replicalib entry datedetectionmethodspecies
301 May 2001 MS-TOFM[EIGTMS]Standard Addition
501 September 2001 MS-QuadM[2]Standard Addition
619 July 2007 MS-TOFMDN35Reference Substance
719 July 2007 MS-TOFVAR5Reference Substance
819 July 2007 MS-TOFVAR5Reference Substance
930 March 2011  Fiehn_GC_2010 
6 spectrum(a)
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Spectrum Details

analyte4-Hydroxyphenyl-beta-glucopyranoside (5TMS)
analyte InChIInChI=1S/C27H56O7Si5/c1-35(2,3)28-20-23-24(32-37(7,8)9)25(33-38(10,11)12)26(34-39(13,14)15)27(30-23)29-21-16-18-22(19-17-21)31-36(4,5)6/h16-19,23-27H,20H2,1-15H3/t23-,24-,25+,26-,27-/m1/s1
analyte mass633.16
chromatogram6082hf_28
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 roleMST
retention time (sec)849.24
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1,051,343
mass-intensity-peaks cardinality548 intensities
minimal m/z45
maximal m/z999
download JCAMP DXSpectrumJcampDx.ashx?id=dfac8808-4829-4d86-ae54-0a72d75aa0bc
download MSPSpectrumMsp.ashx?id=dfac8808-4829-4d86-ae54-0a72d75aa0bc

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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