Fragment lists

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All fragments listed bear +1 charges. To be used in conjunction with Appendix C. Not all members of homologous and isomeric series are given. The list is meant to be suggestive rather than exhaustive. Appendix II of Hamming and Foster (1972), Table A-7 of McLafferty s (1993) interpretative book, and the high-resolution ion data of McLafferty (1982) are recommended as supplements. Structural inferences are listed in parentheses. ... 

The disaccharide fragments listed in this Table are not found in the polysaccharides of Gram-positive cell-walls. For references on the structures of O-specific and capsular polysaccharides mentioned in this Table, see Refs. 98 and 276. b The total number of isomeric, disaccharide fragments identified in different polymers is shown in parentheses. 

All fragments listed bear +1 charges. To be used in conjunction with Appendix C. Not all members of homologous and isomeric series are given. The list is meant to be suggestive rather than exhaustive. 

The first six spectral moments of the edge-adjacency matrix E are expressed as linear combinations of the occurrence numbers of fragments listed in Figure 1.5 ... 

Generate MS/MS or MS2 fragment list of active site matches from corresponding MS/MS or MS2 spectra... 

The prediction process relies on a pre-computed set of structural fragments that give rise to toxicity alerts in case they are encountered in the structure currently drawn. These fragment lists and toxicities (e.g. mutagenicity) were drawn from the RTECS database. RTECS, the Registry of Toxic Effects of Chemical Substances, aims to list... all known toxic substances. .. and the concentrations at which. .. toxicity is known to occur currently there are over 133,000 such substance listed at http //www.ntis.gov/ products/types/databases/rtecs.asp loc=4-4-3. 

Table 2, Clipping of a fragment list arranged by H-values...

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