| | Number | Metabolites | RT (min) | m/z (%) |
| | 1 (cont.) | Naphthalene | 25.56 | 128 (M+, 100), 102 (10) | | 2 (6 d) | 1-Methoxynaphthalene | 17.37 | 197 (M+, 3), 153 (65), 128 (100), 102 (6) | | 3 (15 d) | 1-Hydroxy-2-naphthoate | 23.63 | 237 (M+, 18), 188 (100), 141 (39), 128 (12), 107 (28), 86 (20), 53 (71) | | 4 (15 d) | 2-Hydroxy 4-methoxy cinnamate | 55.17 | 239 (M+, 10), 178 (100), 161 (60), 133 (30), 55 (17) | | 5 (6 d) | Salicylate | 28.45 | 179 (M+, 8), 137 (100), 122 (12), 97 (20), 57 (40) | | 6 (6, 15 d) | Phthalate | 51.84 | 279 (M+, 10), 180 (2), 167 (42), 149 (100), 71 (12), 57 (20), | | 7 (15 d) | Phthalate 3,4-dihydrodiol | 47.24 | 267 (M+, 2), 202 (100), 174 (3), 149 (36), 137 (1), 101 (12), 98 (5) | | 8 (15) | Pyruvate | 8.12 | 101 (M+, 5), 89 (70), 73 (5), 71 (100), 56 (53) | | 1 (cont.) | Phenanthrene | 44.59 | 178 (M+, 100), 152 (6), 76 (5) | | 2 | 1-Hydroxyphenanthrene | 53.71 | 197 (M+, 5), 193 (100), 178 (12), 127 (12), 95 (25), 69 (16), 60 (23) | | 3 | Phthalate | 58.97 | 279 (M+, 12), 219 (3), 167 (42), 149 (100), 57 (14) | | 4 | Dihydroxy-cis, cis muconate semialdehyde | 48.21 | 219 (M+, 2), 175 (10), 167 (100), 142 (5), 101 (10), 57 (12) | | 5 | 2-Hydroxy-4-methoxy cinnamate | 55.43 | 239 (M+, 10), 178 (100), 161 (58), 133 (30), 55 (15) | | 1 (cont.) | Pyrene | 38.59 | 202 (M+, 100), 174 (3), 150 (5), 135 (1), 122 (3), 101 (35), 88 (10), 74 (4), 62 (2), 50 (2), 28 (3) | | 2 (12 d) | 1-Hydroxypyrene | 39.743 | 218 (M+, 100), 189 (25), 174 (2), 163 (5), 150 (2), 139 (2), 109 (15), 95 (13), 81 (4), 63 (3) | | 3 (15 d) | 4,5-Dihydroxypyrene | 43.239 | 236 (M+, 100), 200 (35), 174 (5), 150 (3), 118 (18), 100 (36), 74 (5), 51 (2), 28 (2) | | 4 (12) | Phenanthrene-4,5-dicarboxylate | 47.125 | 254 (M+, 19), 236 (15), 221 (100), 202 (10), 167 (25), 149 (40), 128 (21), 113 (38), 96 (35), 40 (100) | | 5 (12 d) | 3,4-Dihydroxyphenanthrene | 38.287 | 208 (M+, 100), 193 (80), 176 (15), 164 (30), 150 (20), 132 (32), 118 (28), 105 (39), 79 (60), 51 (30) | | 6 (9 d) | 1-Hydroxy-2-naphthoate | 19.71 | 188 (M+, 100), 146 (5), 119 (30), 105 (55), 91 (73), 78 (10), 65 (15), 51 (3), 41 (5) | | 7 (15 d) | Benzocoumarin | 68.58 | 224 (M+, 15), 207 (50), 191 (10), 163 (15), 147 (13), 120 (80), 92 (48), 63 (25), 44 (100), 16 (83) | | 8 (12 d) | trans-2-Carboxy-benzalpyruvate | 37.426 | 203 (M+, 100), 189 (9), 175 (5), 149 (5), 137 (1), 123 (1), 101 (15), 88 (10), 75 (3), 40 (12) | | 9 (all d) | Phthalate | 46.45 | 297 (M+, 10), 167 (30), 149 (100), 132 (1), 113 (15), 93 (2), 71 (25), 57 (35), 43 (22) | | 10 (12 d) | Phthalate 3,4-dihydrodiol | 37.676 | 202 (M+, 100), 182 (19), 151 (65), 133 (32), 114 (1), 101 (20), 88 (8), 63 (12) | | 11 (6 d) | 3,4-Dihydroxyphthalate | 39.7 | 211 (M+, 5), 195 (60), 167 (25), 146 (10), 132 (26), 117 (31), 105 (5), 90 (17), 76 (60), 63 (20), 40 (100) | | 12 (6 d) | Carboxy-cis, cis-muconate | 40.023 | 183 (M+, 15), 168 (25), 155 (20), 141 (10), 124 (21), 111 (21), 97 (20), 85 (25), 71 (20), 57 (55), 40 (100) | | 13 (15 d) | 1-Methoxy, 2-hydroxypyrene | 48.32 | 247 (M+, 100), 217 (50), 201 (100), 189 (50), 174 (10), 150 (5), 100 (20), 87 (5) | | 14 (6 d) | 1-Methoxyphenanthrene | 38.2 | 208 (M+, 100), 193 (80), 177 (5), 164 (30), 150 (20), 132 (32), 118 (28), 105 (39), 79 (60), 51 (30) |
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