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Kendrick mass information


The Kendrick mass is defined by setting the mass of a chosen molecular fragment, typically CH2, to an integer value in amu (atomic mass units). It is different from the IUPAC definition, which is based on setting the mass of 12C isotope to exactly 12 amu. The Kendrick mass is often used to identify homologous compounds differing only by a number of base units in high resolution mass spectra.[1][2] This definition of mass was first suggested in 1963 by chemist Edward Kendrick,[1] and it has been adopted by scientists working in the area of high-resolution mass spectrometry, environmental analysis,[3][4][5][6] proteomics, petroleomics,[2] metabolomics,[7] polymer analysis,[8] etc.

  1. ^ a b Kendrick, Edward (1963), "A mass scale based on CH2 = 14.00000 for high resolution mass spectrometry of organic compounds", Anal. Chem., 35 (13): 2146–2154, doi:10.1021/ac60206a048.
  2. ^ a b Marshall AG, Rodgers RP (January 2004), "Petroleomics: the next grand challenge for chemical analysis", Acc. Chem. Res., 37 (1): 53–9, doi:10.1021/ar020177t, PMID 14730994.
  3. ^ Ortiz, Xavier; Jobst, Karl J.; Reiner, Eric J.; Backus, Sean M.; Peru, Kerry M.; McMartin, Dena W.; O’Sullivan, Gwen; Taguchi, Vince Y.; Headley, John V. (2014-08-05). "Characterization of Naphthenic Acids by Gas Chromatography-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry". Analytical Chemistry. 86 (15): 7666–7673. doi:10.1021/ac501549p. ISSN 0003-2700. PMID 25001115.
  4. ^ Ubukata, Masaaki; Jobst, Karl J.; Reiner, Eric J.; Reichenbach, Stephen E.; Tao, Qingping; Hang, Jiliang; Wu, Zhanpin; Dane, A. John; Cody, Robert B. (2015). "Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry: Using accurate mass information and mass defect analysis to explore the data". Journal of Chromatography A. 1395: 152–159. doi:10.1016/j.chroma.2015.03.050. PMID 25869800.
  5. ^ Myers, Anne L.; Jobst, Karl J.; Mabury, Scott A.; Reiner, Eric J. (2014-04-01). "Using mass defect plots as a discovery tool to identify novel fluoropolymer thermal decomposition products". Journal of Mass Spectrometry. 49 (4): 291–296. Bibcode:2014JMSp...49..291M. doi:10.1002/jms.3340. ISSN 1096-9888. PMID 24719344.
  6. ^ Jobst, Karl J.; Shen, Li; Reiner, Eric J.; Taguchi, Vince Y.; Helm, Paul A.; McCrindle, Robert; Backus, Sean (2013-04-01). "The use of mass defect plots for the identification of (novel) halogenated contaminants in the environment". Analytical and Bioanalytical Chemistry. 405 (10): 3289–3297. doi:10.1007/s00216-013-6735-2. ISSN 1618-2642. PMID 23354579. S2CID 26310076.
  7. ^ Cite error: The named reference :2 was invoked but never defined (see the help page).
  8. ^ Cite error: The named reference :3 was invoked but never defined (see the help page).

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