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. 2022 Jun 7;14(12):2310. doi: 10.3390/polym14122310

Table 1.

The target compounds, deprotonated precursors and fragment ions. The common fragments for the parent compound and its derivatives are in bold.

Compound R.T. (min) Formula Exact Mass Error (ppm) Adduct Ion (m/z) MS2 Fragments (m/z)
INH 4.25 C6H7N3O 137.0589 1.47 138.0667 122.0712; 120.0556; 108.04429; 106.0287; 96.0443; 59.0239
INH-a 11.17 C13H11N3O 225.0902 1.25 226.0980 208.08692; 148.0505; 147.05527; 106.0287; 96.0443
INH-b 11.27 C13H10N4O3 270.0753 0.86 271.0831 255.0876; 253.0720; 224.0818; 192.0430; 148.0505; 136.0393; 106.0287; 96.0443
INH-c 13.40 C13H10N3OBr 303.0007 0.5 304.0085 288.0130; 285.9974;224.9658; 224.0818; 168.9647; 148.0505; 106.0287; 96.0443