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. 2020 Jan 18;25(2):400. doi: 10.3390/molecules25020400

Table 1.

Characterization of the detected chlorhexidine (CHX) and octenidine (OCT) metabolites by nontargeted LC-MS.

Rt [min] Suggested Structure Theoretical Mass (Monois.)
m/z 		Mass Spectra Characteristics (ESI+)
m/z (Intensity, %)
CHX
4.8		 graphic file with name molecules-25-00400-i001.jpg 505.2105
253.1089		 253.2 (100); 254.1 (98); 255.1 (29); 505.2 (31); 507.1 (22); 509.1 (5); 336.1 (20); 338.2 (7); 319 (14)
5.3 graphic file with name molecules-25-00400-i002.jpg 515.1584
258.0829		 258.2 (100); 259.0 (70); 260.0 (13); 515.2 (59.7); 517.1 (44); 519.1 (9.7); 346.0 (6.2); 348.1 (4.9); 498.0 (5.4); 500.1 (3.7); 502.1 (1)
OCT
7.5		 graphic file with name molecules-25-00400-i003.jpg 551.5047
275.7524		 276.3 (100); 551.4 (17.6); 345.4 (1.6)
5.9 graphic file with name molecules-25-00400-i004.jpg 439.3795
220.1934		 220.2 (100); 439.4 (13.7); 345.3 (3.1)
6.9 graphic file with name molecules-25-00400-i005.jpg 567.4996
284.2534		 284.2 (100); 230.3 (459) (46.7); 488.2 (4.2); 459.5 (2.7); 567.3 (2.1); 276.2 (1)
7.1 graphic file with name molecules-25-00400-i006.jpg 565.4840
283.2455		 283.2 (100); 565.3 (5.4); 275.3 (4.6); 269.3 (3.9); 220.7 (1.5)