EXACT MASS & RELATIVE ION ABUNDANCE OF SELECTED CHLORINATED AROMATIC HYDROCARBONS PCDFs 12C12 C12H8-nClnO 13C12
# of Cl
Exact Mass
0 168.0575 1 202.0185 204.0156
2 235.9796 237.9766 239.9737
3 269.9406 271.9376 273.9347 275.9317
4 303.9016 305.8987 307.8957 309.8928
5 337.8627 339.8597 341.8568 343.8538
6 371.8237 373.8207 375.8178 377.8148
7 405.7847 407.7818 409.7788 411.7759 413.7729
8 439.7457 441.7428 443.7398 445.7369 447.7339
Relative Abundance
100 100
Exact Mass
Exact Mass
180.0978 128.0626 214.0588 162.0236
248.0198 195.9847 PCNs 12C10 C10H8-nCln
Relative Abundance
100 100
33.5 216.0559 164.0207 33.0 100
100
65.8 250.0169 197.9817 65.4 11.2 252.0139 199.9788 10.9 100
281.9809 229.9457 100
98.2 283.9779 231.9427 97.8 32.5 285.9750 233.9398 32.0 3.7
287.9720 235.9368 3.6
76.5 315.9419 263.9067 76.8 100
317.9389 265.9038 100
49.2 319.9360 267.9008 49.0 10.9 321.9330 269.8979 10.7 61.3 349.9029 297.8677 61.5 100
351.9000 299.8648 100
65.4 353.8970 301.8618 65.1 21.5 355.8941 303.8589 21.3 51.2 383.8639 331.8288 51.3 100
385.8610 333.8258 100
81.6 387.8580 335.8229 81.3 35.6 389.8551 337.8199 35.3 43.9 417.8250 365.7898 44.0 100
419.8220 367.7868 100
97.8 421.8191 369.7839 97.5 53.3 423.8161 371.7809 52.9 17.5 425.8132 373.7780 17.3 33.7 451.7860 399.7508 33.9 87.7 453.7830 401.7479 87.9 100
455.7801 403.7449 100
65.2 457.7771 405.7420 65.0 26.7 459.7742 407.7390 26.5
PCTs = polychlorinated terphenyls PCBs = polychlorinated biphenyls PCHBs = polychlorinated hydroxybiphenyls PCDDs = polychlorinated dibenzo-p-dioxins PCDFs = polychlorinated dibenzofurans PCNs = polychlorinated naphthalenes CBs CPs
= chlorobenzenes = chlorophenols
Accurate masses: 12C=12.000000, 13 C=13.003355, 1 H=1.007825, 35 Cl= 34.968853, 37 Cl=36.965903, 16 O=15.994915
Relative abundances of isotopes were determined using the method described in: Pretsch,Clerc,Seibl,Simon, Tables of Spectral Data for Structure Determination of Organic Compounds, Springer-Verlag, 1983. The following natural isotopic abundances were used in all calculations: 12 35Cl=75.53%, 37
C=98.89%, 13 Cl=24.47%, 16 O=99.759%, 17 O=0.037%, 18 O=0.204%. C=1.11%, 1 H=99.985%, 2 H=0.015%, 13C10
Exact Mass
138.0962 172.0572 174.0542 206.0182 208.0153 210.0123 239.9792 241.9763 243.9733 245.9704 273.9403 275.9373 277.9344 279.9314 307.9013 309.8983 311.8954 313.8924 341.8623 343.8594 345.8564 347.8535 375.8233 377.8204 379.8174 381.8145 383.8115 409.7844 411.7814 413.7785 415.7755 417.7726
12C6
Exact Mass
78.0470 112.0080
145.9690 179.9300 CBs C6H6-nCln
Relative Abundance
100 100
114.0050 32.6 100
147.9661 65.0 149.9631 10.6 100
215.8881
181.9271 97.4 183.9241 31.7 185.9212 3.5 213.8911 77.1 100
249.8491
217.8852 48.7 219.8822 10.6 247.8521 61.7 100
283.8102
251.8462 64.9 253.8432 21.1 281.8131 51.4 100
285.8072 81.1 287.8043 35.1
13C6
Exact Mass
84.0671
Exact Mass
94.0419 118.0281 128.0029 151.9891 161.9639 185.9502 195.9249 CPs 12C6 C6H5-nClnOH 13C6
Relative Abundance
100 100
120.0252 129.9999 32.8 100
153.9862 163.9610 65.2 155.9832 165.9580 10.8 100
187.9472 197.9220 97.6 189.9443 199.9190 31.9 191.9413 201.9161
3.5 221.9082 231.8830
219.9112 229.8860 76.9 100
255.8693 265.8441
223.9053 233.8801 48.8 225.9023 235.8771 10.7 253.8722 263.8470 61.6 100
257.8663 267.8411 65.0 259.8634 269.8382 21.2 287.8332 289.8303 291.8273 293.8244
Exact Mass
100.0620 134.0230 136.0201 167.9841 169.9811 171.9782 201.9451 203.9421 205.9392 207.9362 235.9061 237.9032 239.9002 241.8973 269.8671 271.8642 273.8612 275.8583
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