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Butanoic acid, 4-amino- (3TMS)

 

Replica Mass Spectra of Butanoic acid, 4-amino- (3TMS)

replicalib entry datedetectionmethodspecies
124 October 2003 MS-QuadM[2]Standard
201 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
426 November 2004  M[FAME4090]Standard
2928 August 2012  MassBank GC 2010 Ara 
2630 March 2011  Fiehn_GC_2010 
3028 August 2012  MassBank GC 2010 Ara 
601 May 2001 MS-TOFM[EIGTMS]Standard Addition
711 September 2005  M[FAME4090]Standard
812 May 2005  M[NIST] 
919 July 2007 MS-TOFVAR5Reference Substance
29 spectrum(a)
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Spectrum Details

analyteButanoic acid, 4-amino- (3TMS)
analyte InChIInChI=1S/C13H33NO2Si3/c1-17(2,3)14(18(4,5)6)12-10-11-13(15)16-19(7,8)9/h10-12H2,1-9H3
analyte mass319.66
chromatogram3237BF26
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)1,279.02
retention index (VAR5 method, n-alkanes C10–C36)1.527,45 (predicted, according to Strehmel, N. et.al)
base peak (m/z)174
maximal intensity999
mass-intensity-peaks cardinality50 intensities
minimal m/z43
maximal m/z306
download JCAMP DXSpectrumJcampDx.ashx?id=53d583d8-40c6-40e1-9296-23f821cd77a5
download MSPSpectrumMsp.ashx?id=53d583d8-40c6-40e1-9296-23f821cd77a5

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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