Method Development for Assessing Carbamazepine, Caffeine, and Atrazine in Water Sources from the Brazilian Federal District Using UPLC-QTOF/MS

<table class="fixed-width table-group" id="tab2"><tr><td><table class="table"><colgroup><col style="width:7.96em"/><col style="width:7.96em"/><col style="width:7.96em"/><col style="width:7.96em"/><col style="width:7.96em"/><col style="width:6.85em"/><col style="width:6.85em"/><col style="width:6.85em"/></colgroup><tr><td class="thead-hr" colspan="8"><hr/></td></tr><tr class="thead"><td class="align_left">Analyte</td><td class="align_center">Formula</td><td class="align_center">Exact mass (Da)</td><td class="align_center">Precursor ion (Da)</td><td class="align_center">Product-ion (Da)</td><td class="align_center">DP (V)</td><td class="align_center">CE (eV)</td><td class="align_center">RT (min)</td></tr><tr><td class="thead-hr" colspan="8"><hr/></td></tr><tr><td class="align_left" rowspan="3">CAF</td><td class="align_center" rowspan="3"><span style="width: 62.449074ptpx;"><svg height="12.057507pt" id="M1" style="vertical-align:-3.291109pt" version="1.1" viewbox="-0.049816 -8.766397 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139 371 152 384C163 397 178 404 197 404C246 404 281 365 281 293V278C260 262 186 232 124 213C69 194 41 161 41 112C41 47 92 -12 163 -12C195 -12 243 25 283 51C288 35 293 22 308 7C319 -4 339 -12 354 -12L442 39ZM281 87C262 68 226 51 199 51C169 51 129 74 129 126C129 162 151 181 190 198C211 208 259 229 281 240V87Z"></path></g></svg></td><td class="align_center" rowspan="3">100</td><td class="align_center" rowspan="3">25</td><td class="align_center" rowspan="3">1.74</td></tr><tr><td class="align_center">195.0877</td></tr><tr><td class="align_center">110.0349</td></tr><tr><td class="align_left" rowspan="3">CMZ</td><td class="align_center" rowspan="3">‎<svg height="12.057507pt" id="M3" style="vertical-align:-3.291109pt" version="1.1" viewbox="-0.049816 -8.766397 61.950942 12.057507" width="61.950942pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M614 175C564 76 510 21 408 21C256 21 146 149 146 336C146 488 235 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xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M456 178V225H360V632H320C217 496 115 347 20 206V178H280V106C280 40 276 34 189 27V0H445V27C364 34 360 39 360 106V178H456ZM280 225H82C149 335 214 431 278 520H280V225Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,6.263,-5.741)"><path d="M442 39L431 68C420 63 406 57 394 57C377 57 359 71 359 118V301C359 353 349 393 314 424C291 443 261 451 230 451C171 438 107 401 79 381C59 366 46 355 46 340C46 316 72 295 91 295C106 295 117 303 122 319C131 350 139 371 152 384C163 397 178 404 197 404C246 404 281 365 281 293V278C260 262 186 232 124 213C69 194 41 161 41 112C41 47 92 -12 163 -12C195 -12 243 25 283 51C288 35 293 22 308 7C319 -4 339 -12 354 -12L442 39ZM281 87C262 68 226 51 199 51C169 51 129 74 129 126C129 162 151 181 190 198C211 208 259 229 281 240V87Z"></path></g></svg></td><td class="align_center" rowspan="3">70</td><td class="align_center" rowspan="3">30</td><td class="align_center" rowspan="3">2.27</td></tr><tr><td class="align_center">237.1022</td></tr><tr><td class="align_center">192.0808</td></tr><tr><td class="align_left" rowspan="3">ATZ</td><td class="align_center" rowspan="3"><span style="width: 59.799221ptpx;"><svg height="12.527257pt" id="M5" style="vertical-align:-3.29111pt" version="1.1" viewbox="-0.049816 -9.236147 59.799221 12.527257" width="59.799221pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M614 175C564 76 510 21 408 21C256 21 146 149 146 336C146 488 235 629 402 629C510 629 570 586 597 480L626 488C620 541 614 582 606 638C578 643 510 665 429 665C206 665 44 527 44 316C44 157 153 -15 402 -15C474 -15 558 5 586 11C604 45 629 119 643 165L614 175Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,8.677,3.132)"><path d="M253 635C142 635 71 555 71 471C71 401 113 353 178 316C144 294 106 267 91 252C70 231 46 202 46 157C46 51 132 -12 241 -12C328 -12 442 52 442 168C442 257 379 305 311 343C354 373 380 398 388 407C406 428 417 458 417 487C417 568 348 635 253 635ZM240 600C288 600 340 563 340 481C340 423 313 387 279 360C207 394 148 427 148 499C148 549 182 600 240 600ZM252 23C188 23 129 73 129 163C129 217 162 266 211 298C289 260 360 217 360 144C360 69 312 23 252 23Z"></path></g><g transform="matrix(.013,0,0,-0.013,13.624,0)"><path d="M729 650H468V622C546 615 554 610 554 527V365H213V527C213 610 221 616 297 622V650H38V622C120 616 128 611 128 527V123C128 39 120 34 40 28V0H303V28C221 34 213 40 213 123V322H554V123C554 39 546 34 460 28V0H728V28C647 34 639 39 639 123V527C639 610 647 615 729 622V650Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,23.619,3.132)"><path d="M389 0V32C297 38 291 46 291 118V635C234 613 175 595 109 583V556L161 554C203 552 207 547 207 497V118C207 46 201 38 110 32V0H389Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,28.068,3.132)"><path d="M462 177V227H365V632H320C217 496 116 350 21 208V177H284V109C284 43 280 38 190 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transform="matrix(.0091,0,0,-0.0091,54.753,3.132)"><path d="M158 548H390L417 615L410 623H122L83 318C105 326 143 337 185 337C296 337 350 275 350 188C350 116 308 42 225 42C164 42 122 74 100 93C90 101 82 99 72 92C60 82 51 68 50 59C48 46 52 38 66 24C82 9 125 -12 172 -12C225 -11 292 15 346 59C408 108 437 166 437 226C437 309 371 397 242 397C214 397 170 382 133 369L158 548Z"></path></g></svg></span></td><td class="align_center" rowspan="3">215.093773</td><td class="align_center" rowspan="3">216.1010</td><td class="align_center">174.054<svg height="9.937709pt" id="M6" style="vertical-align:-0.04981613pt" version="1.1" viewbox="-0.049816 -9.887893 10.96237 9.937709" width="10.96237pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M384 0V27C293 34 287 42 287 114V635C232 613 172 594 109 583V559L157 557C201 555 205 550 205 499V114C205 42 199 34 109 27V0H384Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,6.263,-5.741)"><path d="M442 39L431 68C420 63 406 57 394 57C377 57 359 71 359 118V301C359 353 349 393 314 424C291 443 261 451 230 451C171 438 107 401 79 381C59 366 46 355 46 340C46 316 72 295 91 295C106 295 117 303 122 319C131 350 139 371 152 384C163 397 178 404 197 404C246 404 281 365 281 293V278C260 262 186 232 124 213C69 194 41 161 41 112C41 47 92 -12 163 -12C195 -12 243 25 283 51C288 35 293 22 308 7C319 -4 339 -12 354 -12L442 39ZM281 87C262 68 226 51 199 51C169 51 129 74 129 126C129 162 151 181 190 198C211 208 259 229 281 240V87Z"></path></g></svg></td><td class="align_center" rowspan="3">100</td><td class="align_center" rowspan="3">30</td><td class="align_center" rowspan="3">2.55</td></tr><tr><td class="align_center">216.1010</td></tr><tr><td class="align_center">104.0010</td></tr><tr class="table-tr"><td colspan="8"><hr class="tbody-hr"/></td></tr></table></td></tr><tr class="table-fn"><td><div><svg height="9.937709pt" id="M7" style="vertical-align:-0.04981613pt" version="1.1" viewbox="-0.049816 -9.887893 6.878092 9.937709" width="6.878092pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.0091,0,0,-0.0091,2.179,-5.741)"><path d="M442 39L431 68C420 63 406 57 394 57C377 57 359 71 359 118V301C359 353 349 393 314 424C291 443 261 451 230 451C171 438 107 401 79 381C59 366 46 355 46 340C46 316 72 295 91 295C106 295 117 303 122 319C131 350 139 371 152 384C163 397 178 404 197 404C246 404 281 365 281 293V278C260 262 186 232 124 213C69 194 41 161 41 112C41 47 92 -12 163 -12C195 -12 243 25 283 51C288 35 293 22 308 7C319 -4 339 -12 354 -12L442 39ZM281 87C262 68 226 51 199 51C169 51 129 74 129 126C129 162 151 181 190 198C211 208 259 229 281 240V87Z"></path></g></svg>Transitions used for quantification. DP: declustering potential, CE: collision energy, EP: entrance potential, CEP: collision cell entrance potential, CXP: collision cell exit potential, RT: retention time.<br/></div></td></tr></table>

<div>Acquisition parameters used in the UPLC-QTO/MS system.</div>

International Journal of Analytical Chemistry

tab2

Table 2

Table 2: Method Development for Assessing Carbamazepine, Caffeine, and Atrazine in Water Sources from the Brazilian Federal District Using UPLC-QTOF/MS 

Table 2 | Method Development for Assessing Carbamazepine, Caffeine, and Atrazine in Water Sources from the Brazilian Federal District Using UPLC-QTOF/MS 