Kendrick mass defect

Flughey, C. A. Hendrickson, C. L. Rodgers, R. R Marshall, A. G. Kendrick mass defect spectrum A compact visual analysis for ultrahigh-resolution broadband mass spectra. Anal. Chem. 2001, 73,4676-4681. 

Fig. 3.13. Kendrick mass defect versus nominal Kendrick mass for odd-mass ions ([M-H] ions). The compound classes (O, O2, O3S and O4S) and the different numbers of rings plus double bonds (Chap. 6.4.4) are separated vertically. Horizontally, the points are spaced by CH2 groups along a homologous series. [29] By courtesy of A. G. Marshall, NHFL, Tallahassee.

The intention of the Kendrick mass scale is to provide data reduction in a way that homologs can be recognzed by their identical Kendrick mass defect (KMD). Due to the steadily increasing resolution and mass accuracy of modem instrumentation this issue is again gaining importance for complex mixture analysis by MS. The Kendrick mass scale is based on the definition = 14.0000 u [54]. The conversion factor from the lUPAC mass scale, mnjpAc, to the Kendrick mass scale, Kendrick. IS therefore 14.000000/14.015650 = 0.9988834 ... 

Next, we define the Kendrick mass defect, ffJdefectKendrick, as... 

Hughey, C.A. Hendrickson, C.L. Rodgers, R.P. Marshall, A.G. Kendrick Mass Defect Spectrum A Compact Visual Analysis for Ultrahigh-Resolution Broadband Mass Spectra. Anal. Chem. 2001,75,4676-4681. 

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