#In-silico MS/MS By CFM-ID Version 4.0.0 #POSITIVE ESI IONIZATION [M+H]+ energy0 107.0855268 2.769521767 89 259 200 260 199 (1.8939 0.53599 0.26324 0.073904 0.0025194) 109.1011768 2.256162692 90 261 190 262 (1.5252 0.50853 0.17302 0.049451) 121.1011768 2.627773309 81 27 145 144 146 (1.6777 0.66233 0.14916 0.086692 0.051914) 135.1168269 2.25057118 48 59 69 186 183 193 192 188 185 (1.0751 0.67186 0.34643 0.05781 0.031944 0.02572 0.024033 0.014726 0.0029966) 161.132477 2.205908949 19 51 (1.9486 0.2573) 177.1637771 1.751110951 65 37 7 (1.0923 0.65718 0.0016264) 203.1794272 27.83883745 33 84 74 47 54 62 92 36 57 40 39 (17.238 3.5941 2.2428 1.0209 0.91909 0.75496 0.58608 0.51881 0.50428 0.41461 0.04576) 219.1743418 7.83619771 120 209 250 (7.7961 0.029297 0.010807) 221.1899918 30.82517477 0 100 267 210 121 149 251 94 133 128 99 (27.825 0.75686 0.69112 0.35838 0.30493 0.28822 0.27809 0.14575 0.081559 0.054521 0.040784) energy1 41.03857658 2.666201947 102 (2.6662) 43.05422664 1.586470119 10 (1.5865) 55.05422664 1.369775456 175 21 (1.0638 0.30595) 67.05422664 1.66873608 56 91 (1.0338 0.63498) 69.06987671 2.376623025 72 23 (2.2303 0.14636) 79.05422664 2.255044047 78 (2.255) 81.06987671 2.573389888 77 61 (2.2202 0.35317) 83.08552677 1.764533042 76 (1.7645) 93.06987671 2.252438453 87 184 214 (1.7419 0.33573 0.1748) 95.08552677 3.051621341 86 163 189 (2.2764 0.76599 0.0092423) 105.0698767 2.836922733 88 257 258 187 201 (1.8519 0.39161 0.29915 0.28205 0.012238) 107.0855268 6.572333943 259 89 200 260 199 (2.6057 2.2221 1.0466 0.53871 0.15936) 109.1011768 8.316197917 90 261 190 262 (3.7509 2.7252 1.452 0.3881) 111.1168269 1.239684189 140 263 264 139 (0.66526 0.277 0.27349 0.02393) 121.1011768 3.241057869 81 27 145 144 146 (1.2115 0.97623 0.44274 0.35575 0.25484) 123.1168269 1.419815081 26 82 143 (0.67084 0.40587 0.34311) 133.1011768 1.379273762 70 198 203 55 60 202 191 195 196 (0.67383 0.161 0.15988 0.11163 0.08248 0.07581 0.048881 0.035397 0.030365) 135.1168269 1.807267421 69 48 186 59 192 188 193 183 185 (0.70703 0.53562 0.17805 0.119 0.085011 0.062992 0.053659 0.042991 0.022914) 137.0960915 1.499383949 155 221 223 225 (0.86056 0.41733 0.13276 0.088737) 137.132477 1.143336932 49 68 179 180 177 181 178 (0.7683 0.2312 0.066559 0.037819 0.020743 0.010802 0.0079173) 147.1168269 1.086908908 41 66 240 (0.7475 0.21485 0.12455) 161.132477 1.068549425 19 51 (1.0156 0.052983) 163.148127 1.447404412 32 52 (1.1566 0.29082) 165.1273916 1.194331629 107 31 171 (1.0401 0.12769 0.02652) 179.1430416 3.714413615 97 129 18 25 20 29 22 169 24 28 (2.459 0.78084 0.34141 0.029293 0.025776 0.025592 0.022663 0.020894 0.0079894 0.00097585) 187.148127 1.653118592 3 35 83 34 58 (1.479 0.093624 0.041966 0.028313 0.010249) 193.1586917 1.15627028 95 126 151 127 162 165 (0.75547 0.14879 0.13008 0.082658 0.039031 0.00023872) 203.1794272 5.13087541 33 84 40 74 47 62 92 54 36 39 57 (2.0976 1.1029 0.52627 0.37182 0.27595 0.24424 0.24292 0.1235 0.056363 0.0453 0.043947) 219.1743418 2.122277885 120 209 250 (2.0568 0.037764 0.027701) 221.1899918 8.427862153 0 251 267 210 100 149 128 121 133 94 99 (4.2027 1.1581 0.83745 0.69053 0.57526 0.32538 0.27062 0.25183 0.057737 0.043806 0.014525) energy2 39.02292652 3.090517616 103 (3.0905) 41.03857658 22.72242232 102 (22.722) 43.05422664 3.830236401 10 (3.8302) 53.03857658 2.275207248 104 (2.2752) 55.05422664 8.76141346 175 21 (5.4101 3.3513) 65.03857658 1.654454017 132 206 (1.0283 0.62619) 67.05422664 3.3637525 56 91 (2.9477 0.41602) 69.06987671 3.474588279 72 23 (2.4864 0.9882) 73.10117684 1.960179495 137 (1.9602) 79.05422664 5.288119618 78 (5.2881) 81.06987671 1.311570486 77 61 (1.1064 0.20522) 91.05422664 3.127281897 215 197 (1.6142 1.5131) 93.06987671 1.354645827 87 184 214 (0.5244 0.42714 0.40311) 105.0698767 3.227563096 88 257 258 201 187 (1.4755 0.80652 0.63338 0.27329 0.038904) 107.0855268 4.673623939 89 260 259 200 199 (1.9087 0.90211 0.73826 0.61278 0.51181) 109.1011768 4.253137474 261 90 262 190 (1.4846 1.2572 1.1838 0.32749) 123.1168269 1.181671721 143 26 82 (0.83843 0.31967 0.023569) 137.0960915 1.48354979 221 155 223 225 (0.72673 0.32899 0.32192 0.1059) 159.1168269 1.952556672 12 38 (1.9479 0.0046535) 179.1430416 1.417402486 97 129 169 18 25 22 29 28 24 20 (0.97229 0.28159 0.046177 0.038142 0.032274 0.014892 0.012533 0.0096372 0.0078408 0.0020295) 0 221.1899918 C=C1CCCC2(C)CCC(C(C)C)C(=[OH+])C12 1 205.1586917 CC(C)C1C=CC2(C)CC=CC=C2C1[OH2+] 2 161.0960915 CC12C=CC=C([OH2+])C1=CC=CC2 3 187.148127 CC(C)=C1C=CC2([CH4+])CC=CC=C2C1 4 205.1586917 C=CC1(C)CC=CC=C1C([OH2+])C=C(C)C Intermediate Fragment 5 205.1586917 CC(C)C=C=CC1(C)CC=CC=C1C[OH2+] Intermediate Fragment 6 205.1586917 CC(C)C(=C=CC1(C)C=CC=CC1)C[OH2+] Intermediate Fragment 7 177.1637771 CC(C)CC=CC1([CH4+])C=CC=CC1 8 205.1586917 C=CC(C(C)C)C([OH2+])C1=CC=CC=C1C Intermediate Fragment 9 45.06987671 C[CH3+]C 10 43.05422664 C=[CH2+]C 11 177.1273916 CC1=C2C([OH2+])CC=CC2(C)CC=C1 12 159.1168269 CC12C=CC=CC1=C([CH4+])C=CC2 13 177.1273916 C=CC(C)=C1C([OH2+])=CC=CC1(C)C Intermediate Fragment 14 177.1273916 C=C=CC(C)=C1C(=C)CCCC1[OH2+] Intermediate Fragment 15 177.1273916 C=CC1(C)CC=CC(C)=C1C(=C)[OH2+] Intermediate Fragment 16 177.1273916 CC1=CC(C)(C=C=CC[OH2+])CC=C1 Intermediate Fragment 17 177.1273916 C=CCC([OH2+])C1=C(C)C=CC=C1C Intermediate Fragment 18 179.1430416 CC1=C2C([OH2+])CCCC2(C)CC=C1 19 161.132477 CC12C=CCCC1=C([CH4+])C=CC2 20 179.1430416 C=CC(C)=C1C([OH2+])CC=CC1(C)C Intermediate Fragment 21 55.05422664 C#[CH+]CC 22 179.1430416 C=C=CC(C)=C1C(C)CCCC1[OH2+] Intermediate Fragment 23 69.06987671 C#[CH+]CCC 24 179.1430416 C#CC=CCC1(C)CCCC([OH2+])C1 Intermediate Fragment 25 179.1430416 C=CC([OH2+])C1=C(C)C=CCC1(C)C Intermediate Fragment 26 123.1168269 CC1(C)C=C([CH4+])C=CC1 27 121.1011768 [CH2+]C1=CC(C)(C)CC=C1 28 179.1430416 C=CC1(C)CC=CC(C)=C1C(C)[OH2+] Intermediate Fragment 29 179.1430416 CCCC([OH2+])C1=C(C)C=CC=C1C Intermediate Fragment 30 181.1586917 CC1=C2C([OH2+])CCCC2(C)CCC1 31 165.1273916 CC1=C2C([OH2+])CCCC2CC=C1 32 163.148127 CC12CC=CC([CH4+])=C1CCCC2 33 203.1794272 CC(C)C1C=CC2(C)CC=CC([CH4+])=C2C1 34 187.148127 CC(C)C1C=CC2=CC=CC([CH4+])=C2C1 35 187.148127 CC=C1C=CC2(C)CC=CC([CH4+])=C2C1 36 203.1794272 C=C=CC1(C)CCC(C(C)C)CC1=C=[CH3+] Intermediate Fragment 37 177.1637771 C=[CH+]=C1CC(C(C)C)C=CC1(C)C 38 159.1168269 C=[CH+]=C1CC(=C(C)C)C=CC1=C 39 203.1794272 C=CC1(C)C=CC(=C(C)C)CC1=C(C)[CH4+] Intermediate Fragment 40 203.1794272 C=CC([CH4+])=C1CC(=C(C)C)C=CC1(C)C Intermediate Fragment 41 147.1168269 [CH2+]C1(C)C=CC(=C(C)C)C=C1 42 149.132477 CC(C)=C1C=CC(C)([CH4+])C=C1 43 151.148127 CC(C)=C1C=CC(C)([CH4+])CC1 44 153.1637771 CC(C)C1C=CC(C)([CH4+])CC1 45 173.132477 [CH+]=C=C1CC(=C(C)C)C=CC1(C)C 46 175.148127 C=[CH+]=C1CC(=C(C)C)C=CC1(C)C 47 203.1794272 C=C=CC([CH4+])=C1CC(C(C)C)CCC1=C Intermediate Fragment 48 135.1168269 CC(C)=C1C=CC(=[CH3+])CC1 49 137.132477 CC(C)C1C=CC(=[CH3+])CC1 50 139.148127 CC(C)C1CCC(=[CH3+])CC1 51 161.132477 C=[CH+]=C1CC(C(C)C)C=CC1=C 52 163.148127 C=[CH+]=C1CC(C(C)C)CCC1=C 53 201.1637771 C=C1C=CC(C(C)C)CC1=[CH+](C)C#CC 54 203.1794272 [CH2+]#CC=C=CC1(C)CCC(C(C)C)CC1 Intermediate Fragment 55 133.1011768 CC(C)=C1C=CC(=[CH3+])C=C1 56 67.05422664 C#[CH+]C=CC 57 203.1794272 C=C(C)C(=C)CC1=C([CH4+])C=CCC1(C)C Intermediate Fragment 58 187.148127 [CH2+]C1=C(C=C=C(C)C)C(C)(C)CC=C1 59 135.1168269 C=C1C(=[CH3+])C=CCC1(C)C 60 133.1011768 [CH+]=C1C=CCC(C)(C)C1=C 61 81.06987671 [CH+]=C(C)C(=C)C 62 203.1794272 C=CC1(C)CC=CC([CH4+])=C1CC=C(C)C Intermediate Fragment 63 173.132477 CC(C)=C=CC1=C([CH4+])C=CC=C1C 64 175.148127 CC(C)=CCC1=C([CH4+])C=CC=C1C 65 177.1637771 CC1=CC=CC([CH4+])=C1CCC(C)C 66 147.1168269 C#CC1(C)CC=CC([CH4+])=C1C 67 145.1011768 C#CC1(C)CC=CC([CH2+])=C1C 68 137.132477 CCC1(C)C=C([CH4+])C=CC1 69 135.1168269 C=CC1(C)C=C([CH4+])C=CC1 70 133.1011768 C#CC1(C)C=C([CH4+])C=CC1 71 131.0855268 C#CC1(C)C=C([CH2+])C=CC1 72 69.06987671 C=[CH2+]C(=C)C 73 71.08552677 C=C(C)[CH3+]C 74 203.1794272 CC1=C([CH4+])C=CCC1(C)C=C=CC(C)C Intermediate Fragment 75 85.10117684 CC(C)CC=[CH3+] 76 83.08552677 [CH2+]#CCC(C)C 77 81.06987671 [CH2+]#CC=C(C)C 78 79.05422664 [C+]#CC=C(C)C 79 117.0698767 [CH+]=C1C=CC=C(C)C1=C 80 119.0855268 C=C1C(=[CH3+])C=CC=C1C 81 121.1011768 CC1=CC=CC(=[CH3+])C1C 82 123.1168269 CC1CC=CC(=[CH3+])C1C 83 187.148127 CC(C)=CC#CC1(C)C=C([CH4+])C=CC1 84 203.1794272 CC(=C=CC1(C)C=C([CH4+])C=CC1)C(C)C Intermediate Fragment 85 97.10117684 [CH2+]#CC(C)C(C)C 86 95.08552677 [CH2+]#CC(C)=C(C)C 87 93.06987671 [C+]#CC(C)=C(C)C 88 105.0698767 [CH2+]C1=CC(C)=CC=C1 89 107.0855268 CC1=CC=CC([CH4+])=C1 90 109.1011768 CC1C=C([CH4+])C=CC1 91 67.05422664 C#[CH+]C(=C)C 92 203.1794272 C=CC(CC1=C([CH4+])C=CC=C1C)C(C)C Intermediate Fragment 93 201.1637771 C#CC(CC1=C([CH4+])C=CC=C1C)C(C)C 94 221.1899918 C=C=C1C([OH2+])C(C(C)C)CCC1(C)CC=C Intermediate Fragment 95 193.1586917 C=C=C1C([OH2+])C(C(C)C)C=CC1(C)C 96 181.1586917 C=C=C1C(C)CCC(C(C)C)C1[OH2+] 97 179.1430416 C=C=C1C(=C)CCC(C(C)C)C1[OH2+] 98 177.1273916 C=C=C1C(=C)C=CC(C(C)C)C1[OH2+] 99 221.1899918 C=CC1(C)C=CC(C(C)C)C([OH2+])C1=C(C)C Intermediate Fragment 100 221.1899918 C=CC(C)=C1C([OH2+])C(C(C)C)C=CC1(C)C Intermediate Fragment 101 57.06987671 C=[CH2+]CC 102 41.03857658 [CH2+]#CC 103 39.02292652 [C+]#CC 104 53.03857658 C#[CH+]C=C 105 163.1117415 [CH2+]C1(C)C=CC(=C(C)C)C(=O)C1 106 163.1117415 CC(C)=C=C=CC(C)(C)C=C=[OH+] Intermediate Fragment 107 165.1273916 CC(C)=C1C=CC(C)(C)CC1=[OH+] 108 167.1430416 CC(C)=C1C=CC(C)(C)CC1[OH2+] 109 167.1430416 C=C(C)C(=C=CC(C)(C)C)C[OH2+] Intermediate Fragment 110 167.1430416 CC(C)=C=C=CC(C)(C)CC[OH2+] Intermediate Fragment 111 167.1430416 C=C(C)C=C=C(C(C)C)C(C)[OH2+] Intermediate Fragment 112 169.1586917 CC(C)C1C=CC(C)(C)CC1[OH2+] 113 169.1586917 C=C(C)C=CC(C(C)C)C(C)[OH2+] Intermediate Fragment 114 171.1743418 CC(C)C1CCC(C)(C)CC1[OH2+] 115 127.1117415 CC1(C)C=CCC([OH2+])C1 116 171.1743418 CC(C)CC=CC(C)(C)CC[OH2+] Intermediate Fragment 117 191.1430416 C=C=C1C([OH2+])C(=C(C)C)C=CC1(C)C 118 195.1743418 C=C=C1C([OH2+])C(C(C)C)CCC1(C)C 119 205.1586917 C#CC(C)=C1C(=C)CCC(C(C)C)C1[OH2+] 120 219.1743418 C#CC(C)=C1C([OH2+])C(C(C)C)C=CC1(C)C 121 221.1899918 C=C=CC(C)=C1C(C)CCC(C(C)C)C1[OH2+] Intermediate Fragment 122 151.1117415 C=C1C=CC(=C(C)C)C([OH2+])C1 123 153.1273916 C=C1C=CC(C(C)C)C([OH2+])C1 124 153.1273916 C=C(C=C=CC(C)C)CC[OH2+] Intermediate Fragment 125 155.1430416 C=C1CCC(C(C)C)C([OH2+])C1 126 193.1586917 C=C1C=CC(C(C)C)C([OH2+])C1=C(C)C 127 193.1586917 C=C(C=C=CC(C)C)C(C[OH2+])=C(C)C Intermediate Fragment 128 221.1899918 C#CC=CCC1(C)CCC(C(C)C)C([OH2+])C1 Intermediate Fragment 129 179.1430416 C#CC1(C)C=CC(C(C)C)C([OH2+])C1 130 177.1273916 C#CC1(C)C=CC(=C(C)C)C([OH2+])C1 131 149.0960915 C=C1C=CC(=C(C)C)C(=[OH+])C1 132 65.03857658 C#[CH+]C#CC 133 221.1899918 C=C(C(C)C)C([OH2+])C1=C(C)C=CCC1(C)C Intermediate Fragment 134 155.1430416 CC1=C(C[OH2+])C(C)(C)CCC1 135 151.1117415 CC1=C(C=[OH+])C(C)(C)CC=C1 136 149.0960915 CC1=C(C#[O+])C(C)(C)CC=C1 137 73.10117684 CC(C)C[CH4+] 138 127.148127 CC1(C)CCCC([CH4+])C1 139 111.1168269 CC1([CH4+])C=CCCC1 140 111.1168269 CC1C=C([CH4+])CCC1 141 127.148127 C=C([CH4+])CCCC(C)C Intermediate Fragment 142 125.132477 CC1(C)C=C([CH4+])CCC1 143 123.1168269 C=C([CH4+])C=C=CC(C)C Intermediate Fragment 144 121.1011768 C=C([CH4+])C=C=C=C(C)C Intermediate Fragment 145 121.1011768 C=C=CC(C)(C)C=C=[CH3+] Intermediate Fragment 146 121.1011768 [CH2+]#CC=C=CC(C)(C)C Intermediate Fragment 147 97.06479133 C=C(C)C(=C)C=[OH+] 148 99.08044139 C=C(C)C(=C)C[OH2+] 149 221.1899918 C=CC1(C)CC=CC(C)=C1C([OH2+])CC(C)C Intermediate Fragment 150 191.1430416 CC(C)=CC([OH2+])C1=C(C)C=CC=C1C 151 193.1586917 CC1=CC=CC(C)=C1C([OH2+])CC(C)C 152 177.1273916 CC(C)=CC([OH2+])C1=CC=CC=C1C 153 149.0960915 C=C([OH2+])C1=C(C)C=CC=C1C 154 151.1117415 CC1=CC=CC(C)=C1C(C)[OH2+] 155 137.0960915 CC1=CC=CC(C)=C1C[OH2+] 156 135.0804414 CC1=CC=CC(C)=C1C=[OH+] 157 57.06987671 CC(C)=[CH3+] 158 59.08552677 CC(C)[CH4+] 159 83.04914126 CC(C)=C=C=[OH+] 160 85.06479133 CC(C)=C=C[OH2+] 161 87.08044139 CC(C)=CC[OH2+] 162 193.1586917 CC=C=C=CC(C)=CC([OH2+])CC(C)C Intermediate Fragment 163 95.08552677 C#[CH+]C=CCCC 164 123.0804414 CC#CC([OH2+])=C=C(C)C 165 193.1586917 C=C=CC(C)C(=C=C)C([OH2+])CC(C)C Intermediate Fragment 166 151.1117415 C#CC(=C=C)C([OH2+])CC(C)C 167 125.0960915 CC#CC([OH2+])C=C(C)C 168 195.1743418 CC1=C(C([OH2+])CC(C)C)C(C)CC=C1 169 179.1430416 CC1=CC=CC=C1C([OH2+])CC(C)C 170 113.132477 CC1CCCC([CH4+])C1 171 165.1273916 C=CC1(C)CC=CC(C)=C1C[OH2+] 172 163.1117415 C#CC1(C)CC=CC(C)=C1C[OH2+] 173 163.1117415 C=CC(C)=C=C=CC(C)=CC[OH2+] Intermediate Fragment 174 163.1117415 C#CC(C)(C)C(C=[OH+])=C(C)C=C Intermediate Fragment 175 55.05422664 [CH+]=C(C)C 176 139.148127 CCC1(C)C=C([CH4+])CCC1 177 137.132477 C=C([CH4+])C=C=CC(C)CC Intermediate Fragment 178 137.132477 C=C=CC([CH4+])=CC(C)CC Intermediate Fragment 179 137.132477 C=CC([CH4+])=CC(C)(C)C=C Intermediate Fragment 180 137.132477 C=CCC(C)(C=C=[CH3+])CC Intermediate Fragment 181 137.132477 [CH2+]#CC=CCC(C)(C)CC Intermediate Fragment 182 119.0855268 C#CC1([CH4+])C=CC=CC1 183 135.1168269 C=C([CH4+])C=C=C=C(C)CC Intermediate Fragment 184 93.06987671 C=CC(C)=CC#[CH2+] 185 135.1168269 C=C=CC([CH4+])=CC(=C)CC Intermediate Fragment 186 135.1168269 C#CC(C)(C)C=C([CH4+])C=C Intermediate Fragment 187 105.0698767 C#CC(C)(C)C#C[CH2+] 188 135.1168269 C#CC(C)(C=C)C=C(C)[CH4+] Intermediate Fragment 189 95.08552677 C#CC(C)([CH4+])C=C 190 109.1011768 C=CC(=C)[CH2+]=C(C)C 191 133.1011768 C#CC(C)(C#C)[CH2+]=C(C)C 192 135.1168269 C=C=CC(C)(C=C=[CH3+])CC Intermediate Fragment 193 135.1168269 [CH2+]#CC=C=CC(C)(C)CC Intermediate Fragment 194 117.0698767 C#CC1=CC=CC([CH4+])=C1 195 133.1011768 C=CC(C)=C=C=CC(=C)[CH4+] Intermediate Fragment 196 133.1011768 C=C=CC([CH4+])=CC(=C)C=C Intermediate Fragment 197 91.05422664 C#CC(=C)[CH+]#CC 198 133.1011768 C#CC(C)(C)C=C([CH2+])C=C Intermediate Fragment 199 107.0855268 C#CC(C)(C)[CH+]#CC 200 107.0855268 C#CC(=C)[CH2+]=C(C)C 201 105.0698767 C#CC(=C)[C+]=C(C)C 202 133.1011768 C=C=CC(C)(C=C)C=C=[CH3+] Intermediate Fragment 203 133.1011768 C=CC(C)(C)C=C=CC#[CH2+] Intermediate Fragment 204 81.0334912 [CH2+]C(C)=C=C=O 205 41.00219107 [C+]#CO 206 65.03857658 C#CC(=[CH+])C 207 43.01784114 C#C[OH2+] 208 89.09609146 CC(C)CC[OH2+] 209 219.1743418 C#CC1(C)CC=CC(C)=C1C([OH2+])CC(C)C 210 221.1899918 CC1=C(C[OH2+])C(C)(C=CCC(C)C)CC=C1 Intermediate Fragment 211 87.1168269 CC(C)CC[CH4+] 212 119.0491413 CC1=C(C#[O+])C=CC=C1 213 135.0804414 C=C=C=C=CC(C)=CC[OH2+] Intermediate Fragment 214 93.06987671 C#[CH+]C#CCCC 215 91.05422664 C#[CH+]C#CC=CC 216 93.0334912 C#CC(C)=C=C=[OH+] 217 135.0804414 C#CC(C[OH2+])=C(C)C=C=C Intermediate Fragment 218 135.0804414 C=CC(C)=C(C#[O+])C(=C)C Intermediate Fragment 219 133.0647913 CC1=CC=CC(C)=C1C#[O+] 220 121.0647913 CC1=CC=CC=C1C=[OH+] 221 137.0960915 CC=C=C=CC(C)=CC[OH2+] Intermediate Fragment 222 95.04914126 C#CC(C)=CC=[OH+] 223 137.0960915 C=C=CC(C)=C(C=C)C[OH2+] Intermediate Fragment 224 95.04914126 C#CC(=C=C)C[OH2+] 225 137.0960915 C=CC(C)=C(C=[OH+])C(=C)C Intermediate Fragment 226 139.1117415 CC1=C(C[OH2+])C(C)CC=C1 227 123.0804414 CC1=CC=CC=C1C[OH2+] 228 139.1117415 CCC=C=CC(C)=CC[OH2+] Intermediate Fragment 229 139.1117415 C=C=CC(C)=C(CC)C[OH2+] Intermediate Fragment 230 139.1117415 C=CC(C)=C(C[OH2+])C(=C)C Intermediate Fragment 231 141.1273916 CC1=C(C[OH2+])C(C)CCC1 232 141.1273916 C#CCCCC(C)CC[OH2+] Intermediate Fragment 233 193.1950772 CC(C)CCCC1(C)C=C([CH4+])C=CC1 234 151.148127 CCCC1(C)C=C([CH4+])C=CC1 235 193.1950772 C=C([CH4+])C=C=CC(C)CCCC(C)C Intermediate Fragment 236 193.1950772 C=C=CC([CH4+])=CC(C)CCCC(C)C Intermediate Fragment 237 193.1950772 C=CC([CH4+])=CC(C)(C)C=CCC(C)C Intermediate Fragment 238 193.1950772 [CH2+]#CC=CCC(C)(C)CCCC(C)C Intermediate Fragment 239 191.1794272 CC(C)CC=CC1(C)C=C([CH4+])C=CC1 240 147.1168269 CC#CC1(C)C=C([CH4+])C=CC1 241 149.132477 CC=CC1(C)C=C([CH4+])C=CC1 242 191.1794272 C=C([CH4+])C=C=C=C(C)CCCC(C)C Intermediate Fragment 243 191.1794272 C=CC([CH4+])=CC(C)(C)C#CCC(C)C Intermediate Fragment 244 191.1794272 C=CC(C)(C#CCC(C)C)C=C(C)[CH4+] Intermediate Fragment 245 189.1637771 CC(C)CC#CC1(C)C=C([CH4+])C=CC1 246 145.1011768 [CH2+]C1=CC(C)(C#CC)CC=C1 247 189.1637771 C=CC([CH4+])=CC(C)(C)C#CC=C(C)C Intermediate Fragment 248 189.1637771 C=C=CC(C)(C=C=[CH3+])C=CCC(C)C Intermediate Fragment 249 189.1637771 [CH2+]#CC=C=CC(C)(C)C=CCC(C)C Intermediate Fragment 250 219.1743418 CC1=C(C[OH2+])C(C)(C#CCC(C)C)CC=C1 251 221.1899918 CC1=CC(C)(C=CC(C[OH2+])C(C)C)CC=C1 Intermediate Fragment 252 115.1117415 C=CC(C[OH2+])C(C)C 253 113.0960915 C#CC(C[OH2+])C(C)C 254 111.0804414 C#CC(C[OH2+])=C(C)C 255 67.01784114 C#CC#C[OH2+] 256 109.0647913 C#CC(C=[OH+])=C(C)C 257 105.0698767 C=C=C=C=CC(=C)[CH4+] Intermediate Fragment 258 105.0698767 C#CC=C([CH4+])C=C=C Intermediate Fragment 259 107.0855268 C=C([CH4+])C=C=C=CC Intermediate Fragment 260 107.0855268 C=C=CC([CH4+])=CC=C Intermediate Fragment 261 109.1011768 C=C([CH4+])C=C=CCC Intermediate Fragment 262 109.1011768 C=C=CC([CH4+])=CCC Intermediate Fragment 263 111.1168269 C=C([CH4+])C=CCCC Intermediate Fragment 264 111.1168269 C=CC([CH4+])=CC(C)C Intermediate Fragment 265 97.10117684 [CH4+]C1C=CCCC1 266 113.132477 CCC([CH4+])=CC(C)C Intermediate Fragment 267 221.1899918 CCC(C(C)C)C([OH2+])C1=C(C)C=CC=C1C Intermediate Fragment