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Gallic acid (4TMS)

 

Replica Mass Spectra of Gallic acid (4TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
1128 August 2012  MassBank GC 2010 Tsujimoto 
1030 March 2011  Fiehn_GC_2010 
424 October 2003 MS-QuadM[2]Reference Substance
612 May 2005  M[NIST] 
712 May 2005  M[NIST] 
1205 June 2013  MRI_2013 
7 spectrum(a)
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Spectrum Details

analyteGallic acid (4TMS)
analyte InChIInChI=1S/C19H38O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13-14H,1-12H3
analyte mass458.84
chromatogram4029BB19
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 date14 September 2004
metabolite roleMETB
retention time (sec)1,697.04
retention index (VAR5 method, n-alkanes C10–C36)1,945.87 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality101 intensities
minimal m/z45
maximal m/z573
download JCAMP DXSpectrumJcampDx.ashx?id=d1ae953e-ca77-4a62-9416-ba00ae8ecb9f
download MSPSpectrumMsp.ashx?id=d1ae953e-ca77-4a62-9416-ba00ae8ecb9f

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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