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© 2015 AOAC INTERNATIONAL

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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

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FDOLEUDWLRQ OHYHO

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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:

C

c

PAH

c

13C-PAH

î

X

13C-PAH

m