AOAC-RI ERP Book - FAOM METHOD.pdf

7DEOH + 06 LRQV m z DQG 06 06 SUHFXUVRU WR SURGXFW LRQ WUDQVLWLRQV XVHG E\ VWXG\ SDUWLFLSDQWV IRU TXDQWL¿FDWLRQ TXDQW DQG LGHQWL¿FDWLRQ TXDO RI WDUJHW 3$+V DQG C 3$+V XVLQJ VLQJOH VWDJH 06 VLQJOH TXDGUXSROH DQG 72) DQG WDQGHP 06 06 WULSOH TXDGUXSROH LQVWUXPHQWV UHVSHFWLYHO\ Single quad/TOF MS Triple quad MS/MS Compound Quant Qual Quant Qual 1,7-DMP 206 191 206>190 206>205, 206>165 1-MN 142 115 142>115 142>141, 142>116 1-MP 192 189 192>191 192>165 2,6-DMN 156 141, 144 156>115 156>141 3-MC 242 241 242>239 242>226 Ant 178 177 178>176 178>177, 178>151 BaA 228 226 228>226 228>224, 228>202 BaP 252 253 252>250 250>248, 252>224 BbF 252 253 252>250 250>248, 252>224 BghiP 276 277 276>274 274>272, 276>275 BkF 252 253 252>250 250>248, 252>224 Chr 228 226 228>226 228>224, 228>202 DBahA 278 276 278>276 276>274, 278>274 Fln 166 165 166>165 166>164, 166>163 Flt 202 200 202>200 202>201 IcdP 276 277 276>274 274>272, 276>248 Naph 128 127 128>102 128>127 Phe 178 177 178>176 178>177, 178>151 Pyr 202 200 202>200 202>201 13C-Ant 184 183 184>183 184>182, 184>156 13C-BaA 234 232 234>232 234>206 13C-BaP 256 257 256>254 256>228 13C-BbF 258 259 258>256 258>255 13C-BghiP 288 289 288>286 288>287 13C-BkF 258 259 258>256 258>255 13C-Chr 234 232 234>232 234>206 13C-DBahA 284 282 284>282 284>280 13C-Fln 172 171 172>171 172>170 13C-Flt 208 205 208>206 208>207 13C-IcdP 282 283 282>280 282>281 13C-Naph 134 133 134>133 134>105 13C-Phe 184 183 184>183 184>156 13C-Pyr 205 203, 206, 208 205>203 205>204

ratios of contemporaneously analyzed calibration standards, which have been analyzed under the same conditions. c Injection sequence. —Bracket the seven test samples with WZR VHWV RI FDOLEUDWLRQ VWDQGDUGV ,QMHFW VROYHQW EODQNV DIWHU WKH FDOLEUDWLRQ OHYHO KLJKHVW VWDQGDUG DQG DIWHU WKH VDPSOHV ,Q DGGLWLRQ DQDO\]H D UHDJHQW EODQN ZLWK HDFK VHW RI VDPSOHV ,QMHFW only once from each vial, thus preventing potential losses of YRODWLOH 3$+V DQG RU FRQWDPLQDWLRQ H. Calculations 4XDQWL¿FDWLRQ LV EDVHG RQ OLQHDU OHDVW VTXDUHV FDOLEUDWLRQ RI DQDO\WH VLJQDOV S PAH GLYLGHG E\ VLJQDOV S 13C-PAH RI FRUUHVSRQGLQJ 13 & ODEHOHG LQWHUQDO VWDQGDUGV see Table 2014.08I SORWWHG YHUVXV

analyte concentrations. Peak areas are generally preferred as signals XVHG IRU WKH TXDQWL¿FDWLRQ EXW SHDN KHLJKWV VKRXOG EH XVHG IRU peaks that are not well resolved, such as in the case of anthracene DQG SKHQDQWKUHQH 7KH DQDO\WH FRQFHQWUDWLRQV LQ WKH ¿QDO H[WUDFW c PAH —J / DUH GHWHUPLQHG IURP WKH HTXDWLRQ c PAH > S PAH S 13C-PAH ± b @ a where a is the slope of the calibration curve and b is the y -intercept. 7KH FRQFHQWUDWLRQ RI 3$+V LQ WKH VDPSOH C —J NJ LV WKHQ calculated:

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