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Malonic acid (2TMS)

 

Replica Mass Spectra of Malonic acid (2TMS)

replicalib entry datedetectionmethodspecies
2505 June 2013  MRI_2013 
101 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
2228 August 2012  MassBank GC 2010 Kusano 
222 February 2005 MS-TOFM[STR] 
401 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
2130 March 2011  Fiehn_GC_2010 
2428 August 2012  MassBank GC 2010 Ara 
512 May 2005  M[NIST] 
2003 November 2010  Schomburg_GC_2010 
601 June 2001 MS-TOFM[EIGTMS]Alyssum lesbiacum
24 spectrum(a)
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Spectrum Details

analyteMalonic acid (2TMS)
analyte InChIInChI=1S/C9H20O4Si2/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6/h7H2,1-6H3
analyte mass248.42
chromatogramNA(_46)
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authorsStrelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date22 February 2005
metabolite roleMST
retention time (sec)852.12
retention index (VAR5 method, n-alkanes C10–C36)1,193.46 (predicted, according to Strehmel, N. et.al)
base peak (m/z)147
maximal intensity999
mass-intensity-peaks cardinality69 intensities
minimal m/z40
maximal m/z249
download JCAMP DXSpectrumJcampDx.ashx?id=7c2d55ce-b8d4-4164-a239-2a4b096c3ec5
download MSPSpectrumMsp.ashx?id=7c2d55ce-b8d4-4164-a239-2a4b096c3ec5

GC-Method

nameM[STR]
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
attributetextdetails
detectorMS-TOF 
ion sourceEI70eV
RIALKANEC10, C12, C15, C19, C22, C28, C32, C36
separationGCDB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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