Table 1.
Calibration curves parameters for target compounds, internal standards (ISTD & Ref) and surrogates (S) used.
| ID# | Retention Time | Name | Type | ISTD Group# | Target ion, m/z | R2 | Reference ions, m/z | Equation for Calibration Curve, Y | RF % RSD | Detection limitation, μg/kg |
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 3.548 | 2-fluorophenol (S) | Target | 1 | 112 | 0.998 | 64 - 92, | 0.4324X + 0.0020 | 7.8522 | 39.74 |
| 2 | 4.537 | Bis(2-chloroethyl) ether | Target | 1 | 93 | 0.9996 | 63 - 95 | 6.6218X- 0.0138 | 17.7054 | 0.89 |
| 3 | 4.819 | Benzene, 1,2-dichloro- | Target | 1 | 146 | 0.9999 | 111 - 148 | 2.1660X- 0.0016 | 10.8499 | 0.75 |
| 4 | 4.823 | Phenol, 2-chloro- | Target | 1 | 128 | 0.9997 | 64 - 63 | 2.1192X- 0.0039 | 16.8385 | 0.85 |
| 5 | 4.875 | 1,4-Dichlorobenzene-d4 | ISTD& Ref | 1 | 150 | 152 | ||||
| 6 | 4.902 | Benzene, 1,3-dichloro- | Target | 1 | 146 | 0.9999 | 111 - 148 | 2.8364X- 0.0021 | 10.5885 | 0.77 |
| 7 | 5.213 | Benzene, 1,4-dichloro- | Target | 1 | 146 | 0.9999 | 148 - 111 | 2.2248X- 0.0008 | 10.3473 | 0.73 |
| 8 | 5.423 | Bis(2-chloroisopropyl) ether | Target | 1 | 45 | 0.9957 | 121 - 77 | 8.0417X- 0.0098 | 12.2907 | 0.78 |
| 9 | 5.7 | Ethane, hexachloro- | Target | 1 | 117 | 0.9963 | 119 - 201 | 0.8573X- 0.0019 | 15.0917 | 0.73 |
| 10 | 5.918 | Nitrobenzene-D5 (S) | Target | 2 | 82 | 0.9996 | 54-128 | 0.3971X+ 0.0016 | 4.8743 | |
| 11 | 6.402 | Isophorone | Target | 2 | 82 | 0.9995 | 54 - 138 | 2.3984X- 0.0028 | 7.8019 | 0.26 |
| 12 | 6.873 | Methane, bis(2-chloroethoxy)- | Target | 2 | 93 | 0.9994 | 63 - 95 | 1.7325X- 0.0023 | 9.4991 | 0.29 |
| 13 | 7.187 | Benzene, 1,2,4-trichloro- | Target | 2 | 180 | 0.9998 | 182 - 74 | 0.7183X- 0.0005 | 5.1811 | 0.23 |
| 14 | 7.276 | Naphthalene-D8 | ISTD & Ref | 2 | 136 | 54 - 108 | ||||
| 15 | 7.338 | Naphthalene | Target | 2 | 128 | 0.9998 | 51 - 127 | 2.8436X- 0.0019 | 4.7522 | 0.17 |
| 16 | 7.471 | Phenol, 2,4-dichloro- | Target | 2 | 63 | 1.0 | 63 - 164 | Quadratic | 33.2198 | 0.65 |
| 17 | 7.637 | 1,3-Butadiene, 1,1,2,3,4,4-hexachloro- | Target | 2 | 127 | 0.9988 | 227 - 223 | 0.8612X- 0.0014 | 8.9866 | 0.43 |
| 18 | 7.637 | 4-Chloroaniline | Target | 2 | 127 | 0.9988 | 65 - 129 | 0.8612X- 0.0014 | 8.9866 | 0.43 |
| 19 | 8.86 | Naphthalene, 1-Methyl- | Target | 2 | 142 | 0.9994 | 141 - 115 | 1.9541X- 0.0027 | 9.2094 | 0.30 |
| 20 | 9.1 | Naphthalene, 2-Methyl- | Target | 2 | 142 | 0.9993 | 141 - 115 | 1.8462X- 0.0025 | 9.0410 | 0.32 |
| 21 | 9.294 | 4-chloro-3-methylphenol | Target | 2 | 107 | 0.9993 | 77 -142 | 0.6058X- 0.0011 | 14.7357 | 0.33 |
| 22 | 9.752 | 2-fluorobiphenyl (S) | Target | 3 | 172 | 0.9996 | 171 - 170 | 1.1003X+ 0.0111 | 6.0411 | 0.13 |
| 23 | 9.901 | Phenol, 2,4,6-trichloro- | Target | 3 | 97 | 0.9967 | 198 - 196 | 0.4297X- 0.0019 | 36.6714 | 0.91 |
| 24 | 9.974 | Naphthalene, 2-chloro- | Target | 3 | 162 | 0.9995 | 127 - 164 | 3.3579X- 0.0039 | 8.0727 | 0.33 |
| 25 | 10.304 | Phenol, 2,4,5-trichloro- | Target | 3 | 196 | 0.9996 | 196 - 97 | 0.1499X- 0.00009 | 24.9247 | 4.0 |
| 26 | 10.898 | Dimethyl phthalate | Target | 3 | 163 | 0.9991 | 77 - 76 | 3.6343X- 0.0054 | 9.0912 | 0.39 |
| 27 | 10.977 | Acenaphthylene | Target | 3 | 152 | 0.9991 | 76 - 151 | 4.0016X- 0.0063 | 10.0823 | 0.41 |
| 28 | 11.315 | Acenaphthene-d10 | ISTD & Ref | 3 | 164 | 162 - 160 | ||||
| 29 | 11.398 | Acenaphthene | Target | 3 | 154 | 0.9994 | 153 - 152 | 3.2506X- 0.0037 | 6.4589 | 0.35 |
| 30 | 12.449 | Phenol, 2,3,5,6-tetrachloro- | Target | 3 | 65 | 0.9980 | 230 - 234 | 0.6514X+ 0.012 | 41.1876 | 0.76 |
| 31 | 12.54 | Phenol, 2,3,4,5-tetrachloro- | Target | 3 | 232 | 0.9988 | 230 - 131 | 0.0207X- 0.00006 | 27.3923 | 0.93 |
| 32 | 12.577 | Diethyl Phthalate | Target | 3 | 149 | 0.9986 | 160 - 165 | 3.5046X+ 0.0064 | 18.9221 | 0.14 |
| 33 | 12.618 | 9H-Fluorene | Target | 3 | 166 | 0.9988 | 165 - 82 | 3.5534X - 0.0062 | 11.1171 | 0.45 |
| 34 | 13.445 | 2,4,6-tribromophenol (S) | Target | 3 | 332 | 0.9983 | 62 - 330 | 0.0235X - 0.0008 | 15.8856 | 18.3 |
| 35 | 13.793 | 4-bromophenyl phenyl ether | Target | 4 | 248 | 0.9991 | 250 - 77 | 0.7581X - 0.0014 | 13.7724 | 0.41 |
| 36 | 14.097 | Benzene, hexachloro- | Target | 4 | 286 | 0.9997 | 284-282 | 0.1665X+ 0.00009 | 15.9099 | 0.84 |
| 37 | 14.865 | Phenanthrene-D10 | ISTD & Ref | 4 | 188 | 80 - 94 | ||||
| 38 | 14.938 | Anthracene | Target | 4 | 178 | 0.9993 | 76 - 89 | 2.6414X- 0.0036 | 7.7782 | 0.33 |
| 39 | 15.042 | Phenanthrene | Target | 4 | 178 | 0.9995 | 76 - 89 | 3.0189X- 0.0036 | 8.4975 | 0.36 |
| 40 | 16.517 | Dibutyl phthalate | Target | 4 | 149 | 0.9995 | 150 - 57 | 3.3163X- 0.0027 | 8.453233 | 0.38 |
| 41 | 17.848 | Fluoranthene | Target | 4 | 202 | 0.9996 | 101 -200 | 3.3491X- 0.0035 | 6.2156 | 0.32 |
| 42 | 18.372 | Pyrene | Target | 5 | 202 | 0.9995 | 101 -100 | 2.9473X- 0.0032 | 5.6275 | 0.35 |
| 43 | 18.813 | p-Terphenyl-d14 (S) | Target | 6 | 244 | 0.9994 | 243 - 245 | 0.6542X+ 0.0017 | 5.1000 | 12.3 |
| 44 | 20.188 | Benzyl butyl phthalate | Target | 5 | 149 | 0.9986 | 91 - 65 | 1.1980X+ 0.0002 | 12.0877 | 0.49 |
| 45 | 20.37 | Hexanedioic acid, dioctyl ester | Target | 5 | 129 | 0.9986 | 57 - 71 | 1.0651X+ 0.0000 | 13.6516 | 0.50 |
| 46 | 21.567 | Benz[a]Anthracene | Target | 5 | 228 | 0.9996 | 226 - 114 | 2.9580X - 0.0010 | 11.0788 | 0.34 |
| 47 | 21.591 | Chrysene-D12 | ISTD & Ref | 5 | 240 | 236 - 241 | ||||
| 48 | 21.688 | Chrysene | Target | 5 | 228 | 0.9998 | 226 - 113 | 3.0885X- 0.0018 | 3.4619 | 0.32 |
| 49 | 21.91 | Bis(2-ethylhexyl) phthalate | Target | 5 | 149 | 0.9995 | 57 - 71 | 1.5115X- 0.0015 | 5.5767 | 0.36 |
| 50 | 23.892 | Di-n-octyl phthalate | Target | 5 | 149 | 0.9996 | 57 - 71 | 2.5745X - 0.0033 | 10.0511 | 0.35 |
| 51 | 25.055 | Benzo[b]fluoranthene | Target | 6 | 252 | 0.9987 | 250 - 253 | 2.6753X - 0.0049 | 11.6721 | 0.52 |
| 52 | 25.055 | Benzo[k]fluoranthene | Target | 6 | 252 | 0.9996 | 250 - 253 | 3.8256X - 0.0035 | 4.9722 | 0.36 |
| 53 | 26.008 | Benzo[a]pyrene | Target | 6 | 252 | 0.9989 | 250 - 253 | 3.0565X - 0.0052 | 10.5567 | 0.48 |
| 54 | 26.184 | Perylene-D12 | ISTD & Ref | 6 | 264 | 260 - 265 | ||||
| 55 | 29.622 | Indeno[1,2,3-cd]pyrene | Target | 6 | 276 | 0.9992 | 277 - 274 | 3.6582X - 0.0054 | 9.5846 | 0.43 |
| 56 | 29.708 | Dibenz[a,h]anthracene | Target | 6 | 278 | 0.9990 | 276 - 279 | 3.1282X - 0.0053 | 11.7075 | 0.39 |
| 57 | 30.488 | Benzo[ghi]perylene | Target | 6 | 276 | 0.9993 | 277 - 274 | 3.1291X - 0.0043 | 8.2272 | 0.33 |