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Butanoic acid, 2-amino- (2TMS)

 

Replica Mass Spectra of Butanoic acid, 2-amino- (2TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
324 October 2003 MS-QuadM[2]Standard
412 May 2005  M[NIST] 
501 February 2005 MS-TOFM[6]Reference Substance
619 July 2007 MS-TOFVAR5Reference Substance
812 May 2005  M[NIST] 
1328 August 2012  MassBank GC 2010 Tsujimoto 
922 February 2005 MS-TOFM[STR] 
1019 July 2007 MS-TOFMDN35Reference Substance
1112 May 2005  M[NIST] 
11 spectrum(a)
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Spectrum Details

analyteButanoic acid, 2-amino- (2TMS)
analyte InChIInChI=1S/C10H25NO2Si2/c1-8-9(11-14(2,3)4)10(12)13-15(5,6)7/h9,11H,8H2,1-7H3/t9-/m1/s1
analyte mass247.48
chromatogram4157GX18
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)598.65
retention index (VAR5 method, n-alkanes C10–C36)1.160,29 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality66 intensities
minimal m/z70
maximal m/z219
download JCAMP DXSpectrumJcampDx.ashx?id=ae301d81-1289-4f6b-b60f-12889314c9ee
download MSPSpectrumMsp.ashx?id=ae301d81-1289-4f6b-b60f-12889314c9ee

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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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