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. 2021 Mar 31;6(14):9910–9919. doi: 10.1021/acsomega.1c00691

Table 5. Comparative Results of Identifying a Group of Compounds with RIs of 1935–1970 by Mass Spectrum–Partition Coefficient and Mass Spectrum–RI Criteria (Methylanthracene Partition Coefficient 0.85, EST RI 1896).

linear RI Kicor identification by mass spectrum and partition coefficient the result of automatic identification by mass spectrum (>70%) and RI (±30)
1935 0.81 methylanthracene\methylphenanthrene cyclopropene, 3-bromo-1,2-diphenyl-
1943 0.80 methylanthracene\methylphenanthrene cyclopropene, 3-bromo-1,2-diphenyl-
1955 0.83 methylanthracene\methylphenanthrene [1,1′-biphenyl]-4-carbonitrile, 4′-propyl-
1965 0.80 methylanthracene\methylphenanthrene (1,1′-biphenyl)-2,2′-dicarboxaldehyde
1971 0.80 methylanthracene\methylphenanthrene [1,1′-biphenyl]-4-carbonitrile, 4′-propyl-