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M

astovska

et al

.:

J

ournal of

AOAC I

nternational

V

ol

.

98, N

o

. 2, 2015 

491

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

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