Negative Mode LTQ-Orbitrap data for the 500 ppb isoprene (1:1) ozone SOA experiment "Molecular assignments correlate to detected ions comprised only of C, H, and O" m/z Relative # C # H # O (Da) Abundance 57.03405 0.33 3 5 1 59.01331 4.15 2 3 2 69.03396 0.40 4 5 1 71.01336 0.73 3 3 2 71.04970 1.43 4 7 1 72.99275 1.74 2 1 3 73.02909 1.98 3 5 2 75.00821 8.56 2 3 3 81.03415 3.57 5 5 1 83.01348 0.20 4 3 2 83.04974 3.04 5 7 1 85.02905 2.15 4 5 2 85.06539 1.08 5 9 1 87.00835 1.49 3 3 3 87.04459 0.92 4 7 2 88.98744 0.47 2 1 4 89.02397 1.34 3 5 3 94.98019 0.28 95.04979 1.26 6 7 1 96.95953 2.08 97.02907 1.58 5 5 2 97.06533 1.44 6 9 1 99.00816 1.48 4 3 3 99.04478 4.80 5 7 2 101.02403 1.85 4 5 3 101.06009 0.93 5 9 2 103.00309 0.36 3 3 4 103.03944 0.89 4 7 3 105.01863 0.22 3 5 4 107.04980 0.33 7 7 1 109.02876 0.41 6 5 2 109.06511 0.74 7 9 1 110.97537 0.36 111.00804 0.34 5 3 3 111.04475 2.46 6 7 2 111.08118 0.82 7 11 1 112.98521 0.31 4 1 4 113.02383 1.51 5 5 3 113.06054 2.96 6 9 2 115.00302 0.83 4 3 4 115.02038 0.36 8 3 1 115.03780 0.39 5 7 3 116.92797 1.76 117.01906 4.41 4 5 4 117.05504 0.82 5 9 3 119.03445 5.88 4 7 4 121.06536 0.56 8 9 1 123.04457 1.26 7 7 2 123.08077 0.46 8 11 1 124.95441 0.76 125.02382 1.38 6 5 3 125.06040 4.87 7 9 2 127.00282 0.43 5 3 4 127.03997 6.35 6 7 3 129.01868 3.10 5 5 4 129.05090 0.22 6 9 3 129.05310 0.54 6 9 3 129.05518 59.27 6 9 3 129.05757 0.55 6 9 3 130.99797 1.21 4 3 5 131.03421 5.95 5 7 4 131.07129 18.56 6 11 3 131.07335 0.24 6 11 3 133.01366 1.14 4 5 5 133.05000 0.53 5 9 4 134.89392 0.33 135.08098 0.65 9 11 1 136.99059 1.22 137.06029 1.35 8 9 2 138.97009 0.54 139.03951 2.27 7 7 3 139.07596 1.73 8 11 2 141.01871 0.99 6 5 4 141.05527 4.14 7 9 3 142.96487 0.91 143.03458 6.04 6 7 4 143.07071 3.15 7 11 3 145.01370 1.08 5 5 5 145.04762 0.58 6 9 4 145.04997 41.74 6 9 4 145.05252 0.19 147.02947 2.77 5 7 5 147.06583 8.24 6 11 4 152.98572 1.29 153.01868 0.78 7 5 4 153.05534 4.60 8 9 3 153.09137 1.22 9 13 2 154.96513 2.00 155.03458 5.93 7 7 4 155.07085 4.97 8 11 3 157.01378 1.81 6 5 5 157.04730 0.32 7 9 4 157.05011 27.87 7 9 4 158.99281 0.20 159.01016 2.99 9 3 3 159.02950 5.74 6 7 5 159.06577 11.47 7 11 4 161.00862 0.76 5 5 6 161.04210 0.29 161.04497 23.08 6 9 5 161.04706 0.27 161.08125 0.28 7 13 4 162.98181 0.20 163.02425 0.55 5 7 6 163.06059 1.13 6 11 5 164.98555 0.22 165.03949 0.42 5 9 6 167.00145 0.35 167.03439 1.11 8 7 4 167.07080 3.86 9 11 3 167.14356 0.28 168.98070 0.58 169.01370 0.50 169.05010 12.57 8 9 4 169.15898 0.28 171.02945 7.43 7 7 5 171.06567 23.61 8 11 4 173.00870 0.93 6 5 6 173.02252 0.40 173.02573 26.97 10 5 3 173.02933 0.18 173.04501 22.02 7 9 5 173.08136 7.77 8 13 4 175.02425 3.59 6 7 6 175.05731 0.22 175.06055 23.35 7 11 5 177.03984 1.96 6 9 6 177.05501 0.28 10 9 3 177.07625 0.60 7 13 5 179.03769 4.41 9 7 4 179.05534 0.21 6 11 6 180.98048 0.23 180.98891 0.19 181.01347 0.32 181.01695 0.54 181.04991 3.35 9 9 4 181.08635 2.09 10 13 3 182.99626 1.21 183.02939 1.69 8 7 5 183.06563 9.04 9 11 4 183.06809 0.22 185.00882 0.24 185.04497 19.48 8 9 5 185.04910 0.19 185.07776 0.27 185.08133 27.15 9 13 4 185.19055 0.40 187.02422 2.79 7 7 6 187.04137 14.19 11 7 3 187.05025 0.19 187.05321 0.40 187.05702 1.02 187.06056 100.00 8 11 5 187.06442 0.38 187.06943 0.18 187.09697 8.57 9 15 4 189.02046 0.29 189.03990 10.07 7 9 6 189.06494 0.39 189.07614 8.16 8 13 5 191.01914 0.53 6 7 7 191.03308 0.27 191.05550 4.08 7 11 6 191.26592 0.31 191.26779 0.55 191.35095 0.18 191.35445 0.61 191.35733 1.19 191.36025 1.94 191.36482 0.19 191.45136 0.55 193.01686 0.23 193.03447 0.39 6 9 7 193.07121 1.27 7 13 6 193.08977 13.21 11 13 3 194.99622 0.97 195.02913 0.37 195.06554 5.48 10 11 4 195.08545 0.30 197.01189 0.97 197.04498 3.76 9 9 5 197.08130 6.56 10 13 4 198.99127 0.69 199.02423 1.55 8 7 6 199.05676 0.32 199.06052 31.68 9 11 5 199.06377 0.36 199.09300 0.47 199.09700 59.50 10 15 4 199.10014 0.54 199.10187 0.20 200.82170 0.26 201.03970 13.59 8 9 6 201.05702 0.43 201.06706 0.35 201.07219 0.85 201.07625 92.38 9 13 5 201.07953 0.81 201.08124 0.42 201.08592 0.20 201.08995 0.18 201.10118 0.20 203.01917 1.08 7 7 7 203.03699 4.84 11 7 4 203.05148 0.27 203.05544 36.46 8 11 6 203.08067 0.39 203.09177 3.83 9 15 5 203.12822 0.31 10 19 4 205.03479 2.05 7 9 7 205.05969 0.18 205.07114 3.56 8 13 6 207.00581 0.20 207.05037 1.21 7 11 7 207.06563 0.30 11 11 4 209.01207 0.47 209.04721 0.21 209.06589 0.44 7 13 7 210.99092 0.54 211.02449 0.34 211.02751 1.25 211.03757 0.29 211.06055 4.32 10 11 5 213.00662 1.37 213.01616 0.18 213.03987 2.98 9 9 6 213.07170 0.24 213.07623 31.91 10 13 5 213.07944 0.24 215.01923 0.66 8 7 7 215.03613 0.99 215.05092 0.35 215.05565 30.89 9 11 6 215.05872 0.31 215.07294 0.33 215.08040 0.21 215.08736 0.34 215.09195 47.38 10 15 5 215.09543 0.43 217.00159 0.41 217.03484 4.14 8 9 7 217.05084 0.71 217.06662 0.26 217.07115 32.29 9 13 6 217.09671 0.20 217.10751 8.63 10 17 5 219.01405 0.22 7 7 8 219.04967 5.31 8 11 7 219.07568 0.19 219.08672 2.83 9 15 6 221.02150 0.39 221.02972 0.50 7 9 8 221.05821 0.39 221.06609 2.02 8 13 7 221.12103 1.85 223.03738 0.23 223.04550 0.63 7 11 8 223.05539 0.21 225.00673 0.72 225.07614 1.46 11 13 5 226.98605 0.38 227.02217 1.20 227.03230 0.44 227.05542 4.25 10 11 6 227.09189 3.21 11 15 5 229.00166 1.05 229.03478 1.99 9 9 7 229.04828 0.24 229.05188 1.59 229.07103 27.73 10 13 6 229.07443 0.48 229.08817 0.53 229.10745 2.88 11 17 5 231.01405 0.27 8 7 8 231.03105 1.30 231.05051 10.40 9 11 7 231.06725 1.02 231.08174 0.26 231.08679 38.47 10 15 6 231.12299 1.40 11 19 5 233.02977 1.01 8 9 8 233.04611 0.19 233.06613 15.54 9 13 7 233.09131 0.23 233.10251 13.54 10 17 6 235.03725 0.49 235.04532 2.31 8 11 8 235.06085 0.21 12 11 5 235.07369 0.69 235.08168 1.92 9 15 7 235.13658 0.99 237.03423 0.18 237.04326 0.64 237.05278 0.83 237.06090 0.43 8 13 8 239.02210 0.45 239.03233 0.25 239.04956 0.18 239.05574 0.49 11 11 6 241.00174 0.70 241.03473 0.57 10 9 7 241.04816 0.18 241.07449 5.87 241.14383 6.92 13 21 4 243.01724 0.78 243.02710 0.30 243.05032 4.38 10 11 7 243.06740 1.52 243.08649 10.00 11 15 6 243.10367 0.30 243.12293 2.71 12 19 5 244.96755 0.18 244.98479 0.41 244.99648 0.49 245.02957 0.78 9 9 8 245.04669 1.79 245.06586 14.21 10 13 7 245.10213 5.65 11 17 6 247.04527 2.64 9 11 8 247.06180 0.45 247.08173 15.53 10 15 7 247.11806 0.85 11 19 6 249.05309 0.28 249.06088 3.94 9 13 8 249.09728 3.70 10 17 7 251.03200 0.33 251.04007 0.20 8 11 9 251.05862 1.11 251.06868 0.63 251.07661 0.91 9 15 8 253.03760 0.20 253.04765 0.64 253.05597 0.19 8 13 9 253.06560 0.21 253.07109 0.59 12 13 6 255.01741 1.11 255.04456 0.22 255.05054 0.54 11 11 7 255.05309 0.56 255.06302 0.26 255.08662 1.99 12 15 6 256.99658 0.21 257.04266 0.35 257.04660 0.61 257.06598 2.86 11 13 7 257.08286 0.29 257.10223 5.27 12 17 6 257.15778 0.25 259.01218 0.28 259.04526 1.73 10 11 8 259.06238 2.44 259.08139 8.44 11 15 7 259.11807 4.55 12 19 6 259.15445 0.48 13 23 5 261.02457 0.27 9 9 9 261.04157 0.46 261.06091 5.61 10 13 8 261.07752 0.28 261.09732 7.89 11 17 7 261.12360 0.20 261.13351 1.62 12 21 6 263.04022 0.55 9 11 9 263.07648 4.60 10 15 8 263.11282 1.88 11 19 7 263.16773 0.23 265.03809 0.28 265.04788 0.65 265.05570 0.86 9 13 9 265.09216 1.03 10 17 8 265.10727 0.18 14 17 5 267.01721 0.26 267.02686 0.33 267.04504 0.22 267.05350 0.25 267.06329 2.72 9 15 9 267.08728 0.46 13 15 6 268.99655 0.19 269.03256 0.38 269.04273 0.39 269.06046 0.80 269.06567 0.60 12 13 7 269.07913 0.26 269.10208 1.60 13 17 6 269.13855 3.40 14 21 5 271.01212 1.47 271.04511 0.42 11 11 8 271.06210 0.63 271.08160 2.66 12 15 7 271.11780 2.72 13 19 6 273.02722 0.39 273.03775 0.45 273.04102 0.34 273.06088 2.16 11 13 8 273.07797 1.79 273.09729 4.91 12 17 7 273.13361 2.16 13 21 6 273.20639 0.21 15 29 4 275.03995 0.69 10 11 9 275.05734 0.61 275.07654 5.41 11 15 8 275.11282 3.25 12 19 7 275.14929 0.24 13 23 6 277.05573 1.89 10 13 9 277.07257 0.25 277.09216 5.08 11 17 8 277.12845 0.65 12 21 7 279.05454 0.23 279.06360 0.38 279.07135 1.83 10 15 9 279.10791 1.07 11 19 8 281.03272 0.40 281.04236 0.26 281.06943 0.27 281.07877 0.51 281.08688 0.22 10 17 9 281.10208 0.29 14 17 6 283.01166 0.19 283.04804 0.20 283.05814 1.00 283.08154 0.55 13 15 7 283.11789 2.18 14 19 6 283.15424 2.97 15 23 5 285.02768 0.31 285.05530 0.23 285.06046 0.54 12 13 8 285.07767 0.53 285.09723 2.06 13 17 7 285.13351 3.10 14 21 6 287.00687 0.36 287.04041 0.32 11 11 9 287.05695 0.86 287.07642 2.96 12 15 8 287.09396 0.39 287.11261 3.39 13 19 7 287.14926 1.84 14 23 6 289.05585 1.08 11 13 9 289.07291 0.70 289.09216 9.14 12 17 8 289.12845 1.53 13 21 7 291.05228 0.20 291.07126 2.26 11 15 9 291.10773 2.69 12 19 8 293.05060 0.47 10 13 10 293.08688 1.81 11 17 9 293.17844 24.07 17 25 4 295.04849 0.25 295.05795 0.26 295.06607 0.38 10 15 10 295.10269 0.45 11 19 9 295.11810 0.32 15 19 6 297.02768 0.48 297.07407 0.55 297.08170 0.19 10 17 10 297.09714 0.63 14 17 7 297.13330 1.11 15 21 6 299.04349 0.28 299.05344 0.54 299.07672 0.61 13 15 8 299.09332 0.80 299.11267 2.36 14 19 7 301.02313 0.30 301.05515 0.38 12 13 9 301.07288 2.38 301.09216 2.72 13 17 8 301.12854 5.36 14 21 7 301.22226 0.72 303.03885 0.19 303.05225 0.47 303.07135 1.86 12 15 9 303.08826 0.46 303.10776 4.22 13 19 8 303.14404 0.99 14 23 7 305.05090 0.49 11 13 10 305.06754 0.50 305.08701 2.85 12 17 9 305.12341 2.35 13 21 8 307.06625 0.79 11 15 10 307.10291 1.34 12 19 9 309.08185 0.74 11 17 10 309.11820 0.21 12 21 9 309.17352 3.36 311.04370 0.32 311.05277 0.19 311.11282 0.72 15 19 7 313.02261 0.18 313.05920 0.26 313.06857 0.85 313.09232 0.84 14 17 8 313.10950 0.55 313.12860 1.20 15 21 7 315.03851 0.22 315.04971 0.18 315.07117 0.56 13 15 9 315.08856 1.14 315.10776 2.75 14 19 8 315.14407 1.37 15 23 7 315.18012 1.47 16 27 6 315.21698 0.22 17 31 5 317.06751 0.68 317.08710 2.34 13 17 9 317.10419 0.25 317.12344 4.13 14 21 8 317.15964 0.64 15 25 7 319.06650 0.81 12 15 10 319.08337 0.22 319.10288 2.75 13 19 9 319.13925 1.23 14 23 8 321.08191 1.04 12 17 10 321.11847 0.96 13 21 9 323.06162 0.31 11 15 11 323.09082 0.21 323.09750 0.58 12 19 10 325.06876 0.18 325.07654 0.39 11 17 11 325.09201 0.22 15 17 8 325.12845 0.32 16 21 7 325.19415 0.22 325.20145 0.19 18 29 5 327.03781 0.18 327.08841 0.24 327.10794 1.83 15 19 8 327.14407 0.58 16 23 7 329.05402 0.23 329.06775 0.34 329.08695 0.75 14 17 9 329.10403 0.52 329.12360 2.24 15 21 8 329.15976 1.43 16 25 7 329.19617 0.55 17 29 6 329.23282 0.25 18 33 5 331.06638 0.45 13 15 10 331.08371 1.32 331.10275 2.31 14 19 9 331.11942 0.22 331.13922 1.60 15 23 8 331.17490 0.45 16 27 7 333.06314 0.23 333.08218 1.68 13 17 10 333.09903 0.28 333.11850 3.97 14 21 9 333.15512 0.50 15 25 8 335.06079 0.30 12 15 11 335.09766 1.86 13 19 10 335.13403 0.82 14 23 9 337.07736 0.35 12 17 11 337.11307 0.49 13 21 10 337.18323 0.24 339.08447 0.27 339.09253 0.19 12 19 11 339.14441 0.27 17 23 7 339.18082 0.26 18 27 6 341.05463 0.29 341.08621 0.21 341.12360 0.55 16 21 8 341.15952 0.46 17 25 7 343.06964 0.35 343.08377 0.49 343.10278 1.02 15 19 9 343.11963 0.23 343.13886 1.02 16 23 8 343.17539 0.35 17 27 7 343.21191 0.60 18 31 6 345.06262 0.31 345.08130 0.49 14 17 10 345.09924 1.31 345.11853 2.51 15 21 9 345.15494 1.33 16 25 8 345.19138 0.28 17 29 7 347.06149 0.22 13 15 11 347.07852 0.52 347.09784 1.63 14 19 10 347.13413 1.84 15 23 9 347.17029 0.41 16 27 8 349.07678 0.61 13 17 11 349.11340 1.53 14 21 10 349.14969 0.47 15 25 9 349.20526 6.30 351.09268 0.63 13 19 11 351.12903 0.33 14 23 10 351.18411 0.29 355.13895 0.31 17 23 8 355.17575 0.21 18 27 7 357.04926 0.33 357.08124 0.19 15 17 10 357.09903 0.36 357.11820 0.75 16 21 9 357.15454 0.53 17 25 8 357.22760 0.23 19 33 6 357.26395 0.25 20 37 5 359.06500 0.24 359.07913 0.32 359.09781 0.85 15 19 10 359.11502 0.39 359.13413 1.53 16 23 9 359.17017 0.47 17 27 8 359.20712 0.22 18 31 7 361.07684 0.32 14 17 11 361.09406 0.57 361.11340 1.72 15 21 10 363.07394 0.19 363.09265 0.85 14 19 11 363.12915 1.02 15 23 10 363.16538 0.54 16 27 9 365.07199 0.22 13 17 12 365.10852 0.70 14 21 11 365.14505 0.28 15 25 10 367.08789 0.21 13 19 12 367.12470 0.18 14 23 11 369.11856 0.19 17 21 9 369.15485 0.42 18 25 8 369.19119 0.29 19 29 7 371.11527 0.20 371.13419 0.65 17 23 9 371.17035 0.37 18 27 8 371.24320 0.24 20 35 6 373.09436 0.46 373.11350 0.84 16 21 10 373.13040 0.21 373.14963 0.97 17 25 9 373.18567 0.32 18 29 8 373.22241 0.21 19 33 7 375.07364 0.24 375.09259 0.40 15 19 11 375.11038 0.28 375.12903 1.33 16 23 10 375.16541 0.73 17 27 9 377.08914 0.21 377.10819 0.75 15 21 11 377.14511 0.93 16 25 10 377.18070 0.34 17 29 9 377.19934 0.18 379.08768 0.39 14 19 12 379.12369 0.52 15 23 11 379.16037 0.30 16 27 10 381.10339 0.20 14 21 12 381.13950 0.20 15 25 11 383.17078 0.19 19 27 8 383.20645 0.20 20 31 7 385.11285 0.21 17 21 10 385.14929 0.28 18 25 9 385.18619 0.27 19 29 8 387.10977 0.40 387.12891 0.64 17 23 10 387.16516 0.49 18 27 9 387.20273 0.19 19 31 8 389.08887 0.33 389.10809 0.48 16 21 11 389.14459 0.86 17 25 10 389.18076 0.25 18 29 9 391.10385 0.19 19 19 9 391.12396 0.90 16 23 11 391.16025 0.86 17 27 10 393.10370 0.32 15 21 12 393.13980 0.37 16 25 11 393.17688 0.18 17 29 10 395.11887 0.22 15 23 12 397.18631 0.31 20 29 8 399.16571 0.40 19 27 9 401.14484 0.47 18 25 10 401.18146 0.28 19 29 9 403.10446 0.21 403.12424 0.37 17 23 11 403.16010 0.53 18 27 10 405.10321 0.27 16 21 12 405.13959 0.57 17 25 11 405.17557 0.24 18 29 10 407.11911 0.35 16 23 12 407.15476 0.34 17 27 11 409.13413 0.18 16 25 12 409.22635 0.34 413.18085 0.24 20 29 9 415.16000 0.37 19 27 10 415.19717 0.23 20 31 9 417.12100 0.24 417.14023 0.33 18 25 11 417.17609 0.48 19 29 10 419.11914 0.26 17 23 12 419.15506 0.47 18 27 11 421.13486 0.31 17 25 12 421.17105 0.21 18 29 11 429.17505 0.25 431.15540 0.35 19 27 11 433.13416 0.25 18 25 12 433.17108 0.29 19 29 11 435.15079 0.28 18 27 12 437.25711 0.41 445.17108 0.19 20 29 11 447.14856 0.19 550.66852 0.20