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Alanine, beta- (2TMS)

 

Replica Mass Spectra of Alanine, beta- (2TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
215 March 2005 MS-TOFM[6]Reference Substance
512 May 2005  M[NIST] 
1505 June 2013  MRI_2013 
1203 November 2010  Schomburg_GC_2010 
1305 April 2011 MS-TOFVAR5 
1406 April 2011 MS-TOFVAR5 
722 February 2005 MS-TOFM[STR] 
819 July 2007 MS-TOFVAR5Reference Substance
925 January 2005 MS-TOFM[MOR] 
12 spectrum(a)
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Spectrum Details

analyteAlanine, beta- (2TMS)
analyte InChIInChI=1S/C9H23NO2Si2/c1-13(2,3)10-8-7-9(11)12-14(4,5)6/h10H,7-8H2,1-6H3
analyte mass233.46
chromatogram3219BF18
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 date07 September 2004
metabolite roleMETB
retention time (sec)824.7
retention index (VAR5 method, n-alkanes C10–C36)1,181.41 (predicted, according to Strehmel, N. et.al)
base peak (m/z)102
maximal intensity999
mass-intensity-peaks cardinality53 intensities
minimal m/z40
maximal m/z232
download JCAMP DXSpectrumJcampDx.ashx?id=89ba2dcf-b902-4d34-9270-4b4ff8ec03b0
download MSPSpectrumMsp.ashx?id=89ba2dcf-b902-4d34-9270-4b4ff8ec03b0

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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