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Isocitric acid (4TMS)

 

Replica Mass Spectra of Isocitric acid (4TMS)

replicalib entry datedetectionmethodspecies
2528 August 2012  MassBank GC 2010 Kusano 
111 September 2005  M[FAME4090]Standard
219 January 2005 MS-QUADM[ROE] 
2728 August 2012  MassBank GC 2010 Ara 
319 July 2007 MS-TOFMDN35Reference Substance
2628 August 2012  MassBank GC 2010 Tsujimoto 
2905 June 2013  MRI_2013 
601 October 2001 MS-TOFM[EIGTMS]Standard
812 May 2005  M[NIST] 
1012 October 2005 MS-TRAPM[BAR] 
25 spectrum(a)
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Spectrum Details

analyteIsocitric acid (4TMS)
analyte InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3
analyte mass480.85
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 roleMETB-METB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.805,92 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality197 intensities
minimal m/z45
maximal m/z482
download JCAMP DXSpectrumJcampDx.ashx?id=2836ee50-2cdd-4ee0-b2d2-83781a9c499e
download MSPSpectrumMsp.ashx?id=2836ee50-2cdd-4ee0-b2d2-83781a9c499e

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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