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Glucopyranoside, 1-O-methyl-, beta-D- (4TMS)

 

Replica Mass Spectra of Glucopyranoside, 1-O-methyl-, beta-D- (4TMS)

replicalib entry datedetectionmethodspecies
114 November 2003 MS-QuadM[2]Arabidopsis thaliana
218 December 2004 MS-QuadM[2]Nicotiana tabacum
312 May 2005  M[NIST] 
501 February 2005 MS-TOFM[6]Reference Substance
618 December 2004 MS-QuadM[2]Nicotiana tabacum
702 January 2005 MS-TOFM[6]Nicotiana tabacum
815 March 2005 MS-TOFM[6]Reference Substance
918 December 2004 MS-QuadM[2]Standard
8 spectrum(a)
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Spectrum Details

analyteGlucopyranoside, 1-O-methyl-, beta-D- (4TMS)
analyte InChIInChI=1S/C19H46O6Si4/c1-20-19-18(25-29(11,12)13)17(24-28(8,9)10)16(23-27(5,6)7)15(22-19)14-21-26(2,3)4/h15-19H,14H2,1-13H3/t15-,16-,17+,18-,19-/m1/s1
analyte mass482.91
chromatogram4336BF05
citation 
authorsKopka 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 date18 December 2004
metabolite roleMETB
retention time (sec)1,757.46
retention index (VAR5 method, n-alkanes C10–C36)1.884 (predicted, according to Strehmel, N. et.al)
base peak (m/z)204
maximal intensity999
mass-intensity-peaks cardinality205 intensities
minimal m/z41
maximal m/z437
download JCAMP DXSpectrumJcampDx.ashx?id=345942ee-23e3-4ccd-9238-5736bff6a1c5
download MSPSpectrumMsp.ashx?id=345942ee-23e3-4ccd-9238-5736bff6a1c5

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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