5. AOACSPDSMethods-2018AwardsV3

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Table 2014.08H. MS ions ( m / z ) and MS/MS precursor to product ion transitions used by study participants for quantification (quant) and identification (qual) of target PAHs and 13 C-PAHs using single-stage MS (single quadrupole and TOF) and tandem MS/MS (triple quadrupole) instruments, respectively 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

maintenance to ensure adequate operation of the GC instrument. Perform system checks. ( b )  MS conditions. —Any GC/MS instrument (single quadrupole, triple quadrupole, TOF, or ion trap) with EI may be used as long as it provides results meeting the laboratory qualification requirements. The 10 study participants used the following instruments: single quadrupole (Agilent 5973– Laboratory 4; Agilent 5975B XL Inert–Laboratories 3 and 8–10; Agilent 5975C–Laboratories 6 and 7), triple quadrupole (Agilent 7000B–Laboratory 5; Thermo TSQ–Laboratory 1), and time-of-flight (Leco Pegasus 4D–Laboratory 2). Pay special attention to the optimization of the MS transfer line and MS

source temperature. Higher MS source temperatures are recommended (e.g., ≥280°C for Agilent sources) to provide optimum analysis (quantitative transfers, minimum peak tailing) for less volatile PAHs. Table 2014.08H provides MS ions ( m/z ) and MS/MS transitions used by the study participants for quantification and identification of target PAHs and 13 C-PAHs using single-stage MS (single quadrupole and TOF) and tandem MS/MS (triple quadrupole) instruments, respectively. Use adequate data acquisition rate (dwell times in scanning instruments) and solvent delay time. Perform air/water checks and autotune to verify and obtain adequate operation