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Aspartic acid, N-(3-indolylacetyl)- (3TMS)


Replica Mass Spectra of Aspartic acid, N-(3-indolylacetyl)- (3TMS)

replicalib entry datedetectionmethodspecies
129 November 2003 MS-QuadM[2]Standard
201 December 2003 MS-QuadM[2]Standard
322 September 2004 MS-QuadM[2]Standard
519 July 2007 MS-TOFMDN35Reference Substance
619 July 2007 MS-TOFVAR5Reference Substance
5 spectrum(a)
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Spectrum Details

analyteAspartic acid, N-(3-indolylacetyl)- (3TMS)
analyte InChIInChI=1S/C23H38N2O5Si3/c1-31(2,3)25-16-17(18-12-10-11-13-20(18)25)14-21(26)24-19(23(28)30-33(7,8)9)15-22(27)29-32(4,5)6/h10-13,16,19H,14-15H2,1-9H3,(H,24,26)/t19-/m0/s1
analyte mass506.82
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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 date01 December 2003
metabolite roleMETB
retention time (sec)2,470.44
retention index (VAR5 method, n-alkanes C10–C36)2.808,67 (predicted, according to Strehmel, N. et.al)
base peak (m/z)202
maximal intensity999
mass-intensity-peaks cardinality49 intensities
minimal m/z43
maximal m/z508
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download MSPSpectrumMsp.ashx?id=97a7aefe-08f7-4f2c-8db6-948685ca6449


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
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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