#In-silico MS/MS By CFM-ID Version 4.0.0 #POSITIVE ESI IONIZATION [M+H]+ energy0 257.0444498 0.5027931954 172 35 179 126 156 177 98 176 174 181 180 37 39 132 130 36 129 100 99 (0.4491 0.013001 0.0099769 0.0065934 0.0065379 0.0058088 0.0033643 0.0023409 0.0021808 0.0016835 0.0010394 0.00053805 0.00024023 0.00018632 0.00018005 1.3436e-05 7.3092e-06 2.6919e-06 2.4337e-06) 259.0600999 0.6896596494 163 158 133 40 56 170 169 167 168 171 141 138 166 136 41 44 45 139 60 135 160 61 161 59 162 (0.51145 0.046574 0.045105 0.042885 0.026114 0.0045982 0.0030268 0.0028926 0.0014907 0.0014564 0.00055027 0.00054491 0.00053824 0.0005109 0.00050056 0.00047611 0.00034455 0.0003097 0.00024469 2.0598e-05 8.9291e-06 6.6492e-06 6.2941e-06 5.4122e-06 3.7719e-06) 269.0444498 1.02640086 8 200 1 7 17 23 19 20 4 13 9 5 2 (0.71747 0.13885 0.080538 0.062792 0.0067361 0.0036806 0.0036291 0.0033812 0.0032391 0.002542 0.0022902 0.00099378 0.00025528) 285.0393644 0.2541750066 210 212 213 214 211 (0.23601 0.013457 0.0026939 0.0012487 0.00076103) 287.0550145 96.28450349 0 145 199 193 209 46 62 26 120 144 125 203 25 (95.151 0.39633 0.28769 0.22342 0.063048 0.030293 0.028983 0.024531 0.021709 0.019519 0.018268 0.017146 0.0026414) energy1 217.0495352 1.265814406 50 110 83 68 (1.1949 0.069037 0.0017613 0.00012801) 259.0600999 1.694077577 163 158 56 133 40 169 167 171 170 60 41 168 161 166 138 44 160 61 45 59 136 135 141 139 162 (0.59734 0.33263 0.27588 0.22336 0.21917 0.020226 0.0059442 0.0033875 0.0027789 0.0019937 0.0015275 0.0013557 0.0013472 0.0011749 0.001128 0.0010557 0.0010468 0.00058655 0.0004588 0.00044032 0.00041392 0.00031772 0.00019232 0.00018145 0.00013568) 269.0444498 2.886552722 8 7 1 17 200 23 9 13 20 19 4 5 2 (2.2661 0.24504 0.13298 0.072987 0.070938 0.024753 0.024517 0.018587 0.016305 0.0054584 0.0036581 0.0029149 0.0022809) 285.0393644 3.558659927 210 213 211 214 212 (3.3556 0.068073 0.065639 0.036053 0.033282) 287.0550145 82.6004607 0 62 199 193 145 209 144 120 125 26 203 46 25 (78.719 1.2511 0.66553 0.4708 0.40551 0.20969 0.18645 0.17417 0.16306 0.13863 0.098836 0.087038 0.030975) energy2 53.00219107 2.809321173 104 (2.8093) 68.99710569 4.044832666 105 (4.0448) 83.01275576 1.206223619 188 (1.2062) 105.0334912 7.111795746 55 201 (4.8053 2.3065) 107.0491413 3.848319538 80 (3.8483) 121.0284058 4.497355984 207 88 21 (1.611 1.524 1.3623) 137.0233204 2.537689425 151 148 149 150 152 (0.98256 0.59761 0.48628 0.39362 0.077623) 149.0233204 1.369247375 72 24 (0.80387 0.56538) 153.0182351 9.728386717 32 191 189 184 (3.349 2.6201 2.0414 1.7179) 175.0389705 1.368413587 118 76 116 (0.66452 0.63374 0.070149) 203.0338851 6.486920539 64 113 114 119 117 (2.5172 1.5504 1.235 0.5941 0.59024) 215.0338851 2.447152907 58 107 106 93 101 31 (1.4262 0.55825 0.28877 0.1226 0.030909 0.020422) 217.0495352 3.164706602 110 50 68 83 (1.7281 1.0687 0.22976 0.13814) 227.0338851 1.434484808 11 14 66 73 175 (0.77175 0.44115 0.11164 0.086185 0.02375) 229.0495352 3.435816551 157 38 178 131 (1.943 1.1027 0.26491 0.12526) 241.0131497 2.270877988 127 96 143 142 97 (1.1314 0.69237 0.25154 0.1477 0.047874) 241.0495352 5.243553493 3 134 6 12 22 18 164 165 137 (1.3604 1.2381 0.59769 0.57383 0.55167 0.37384 0.36463 0.10267 0.080675) 243.0287997 5.397067528 48 27 89 57 87 92 95 94 (3.9022 0.64189 0.29473 0.25519 0.14851 0.06449 0.050182 0.039891) 245.0444498 4.064334832 51 49 30 74 63 28 69 86 82 67 85 84 (1.4377 0.91331 0.57916 0.31699 0.23411 0.22902 0.15031 0.057791 0.053902 0.051257 0.021261 0.01957) 257.0444498 4.126184132 35 37 36 39 172 174 177 98 181 100 179 156 180 176 99 126 132 130 129 (1.1768 0.87339 0.57094 0.54287 0.34094 0.17577 0.12265 0.06024 0.043516 0.040688 0.040344 0.031255 0.027405 0.024501 0.022885 0.014331 0.0076112 0.005487 0.0045215) 259.0600999 2.118424916 56 60 59 61 163 41 40 167 169 162 133 45 44 168 171 158 166 170 139 161 136 160 135 138 141 (0.39895 0.31195 0.25985 0.22539 0.13888 0.13417 0.099291 0.058939 0.057214 0.05287 0.044501 0.041572 0.04095 0.032179 0.032141 0.031111 0.02604 0.025343 0.022247 0.022154 0.017359 0.016112 0.014702 0.0073112 0.0071798) 269.0444498 1.318498827 8 1 13 9 2 23 17 5 20 4 7 19 200 (0.2778 0.19445 0.16595 0.15916 0.084453 0.084401 0.083596 0.072798 0.062869 0.046769 0.039561 0.032247 0.014453) 0 287.0550145 O=c1c(O)c(-c2ccc([OH2+])cc2)oc2cc(O)cc(O)c12 1 269.0444498 O=C1C(=O)C2=C(O)C=CC=C2OC1=C1C=CC(=[OH+])C=C1 2 269.0444498 O=C=C=C=C=C1C=C(O)C(O)C(=C2C=CC(=[OH+])C=C2)O1 Intermediate Fragment 3 241.0495352 C#CC=C1C=C(O)C(=O)C(=C2C=CC(=[OH+])C=C2)O1 4 269.0444498 O=CC(OC1=CC=CC(O)=C1C#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 5 269.0444498 O=C1C=CC(=COC2=CC=CC(O)=C2C(=O)C#[O+])C=C1 Intermediate Fragment 6 241.0495352 O=C=C1C(=O)C=CC=C1OC=C1C=CC(=[OH+])C=C1 7 269.0444498 O=C1C=CC(=C(OC2=CC=CC(O)=C2)C(=O)C#[O+])C=C1 Intermediate Fragment 8 269.0444498 O=C1C=C(O)C=C2OC(=C3C=CC(=[OH+])C=C3)C(=O)C=C12 9 269.0444498 C=C(O)C=C1OC(=C2C=CC(=O)C=C2)C(=O)C=C1C#[O+] Intermediate Fragment 10 253.0131497 O=C=C=C1OC(=C2C=CC(=O)C=C2)C(=O)C=C1C#[O+] 11 227.0338851 [CH+]=C1OC(=C2C=CC(=O)C=C2)C(O)=CC1=C=O 12 241.0495352 [CH+]=C(O)C=C1C=CC(=O)C(=C2C=CC(=O)C=C2)O1 13 269.0444498 O=C=C=C(O)C=C1C=CC(=O)C(=C2C=CC(=[OH+])C=C2)O1 Intermediate Fragment 14 227.0338851 O=C=[C+]C1=CC=C(O)C(=C2C=CC(=O)C=C2)O1 15 199.0389705 [CH+]=C1C=CC(=O)C(=C2C=CC(=O)C=C2)O1 16 201.0546206 C=C1C=CC(=O)C(=C2C=CC(=[OH+])C=C2)O1 17 269.0444498 C=C1OC(=C2C=CC(=[OH+])C=C2)C(=O)C=C1C(O)=C=C=O Intermediate Fragment 18 241.0495352 [CH+]=C(O)C1=CC(=O)C(=C2C=CC(=O)C=C2)OC1=C 19 269.0444498 C=C(O)C1=CC(=O)C(=C2C=CC(=[OH+])C=C2)OC1=C=C=O Intermediate Fragment 20 269.0444498 C=C1C(=O)C=C(O)C=C1OC(C#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 21 121.0284058 [CH+]=C1C=CC(O)=CC1=O 22 241.0495352 C=C1C(=O)C=C(O)C=C1[O+]=C=C1C=CC(=O)C=C1 23 269.0444498 O=C=C=C1C(=O)C=C(O)C=C1OC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 24 149.0233204 O=C=[C+]C1=CCC(O)=CC1=O 25 287.0550145 C=C=C([OH2+])C=C=C=C1OC2=CC(O)=CC(O)=C2C(O)=C1O Intermediate Fragment 26 287.0550145 C=CC(=C=C=C=[OH+])C1OC2=CC(O)=CC(O)=C2C(O)=C1O Intermediate Fragment 27 243.0287997 C#CC(=[CH+])C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 28 245.0444498 C#CC(=C)C1=C(O)C(=O)C2=C(O)C=C([OH2+])C=C2O1 29 219.0287997 C#CC1=C(O)C(=O)C2=C(O)C=C([OH2+])C=C2O1 30 245.0444498 C#CC(=C)C(=C=O)OC1=CC([OH2+])=CC(O)=C1C=O Intermediate Fragment 31 215.0338851 C#CC(=C)C=[O+]C1=CC(O)=CC(=O)C1=C=O 32 153.0182351 [O+]#CC1=C(O)C=C(O)C=C1O 33 231.0287997 C#CC=C1OC2=CC([OH2+])=CC(O)=C2C(=O)C1=O 34 255.0287997 [C+]#CC(C#C)=C1OC2=CC(O)=CC(O)=C2C(O)=C1O 35 257.0444498 C#CC(C#C)=C1OC2=CC([OH2+])=CC(O)=C2C(O)=C1O 36 257.0444498 C#CC(C#C)=C1OC(=C)C(C(O)=C=C=[OH+])=C(O)C1O Intermediate Fragment 37 257.0444498 C#CC(C#C)=C(C=O)OC1=CC([OH2+])=CC(O)=C1C=O Intermediate Fragment 38 229.0495352 C#CC(C#C)=COC1=CC([OH2+])=CC(=O)C1=CO 39 257.0444498 C#CC(C#C)=COC1=CC([OH2+])=CC(O)=C1C(O)=C=O Intermediate Fragment 40 259.0600999 C#CC(C#C)=C1OC2=CC([OH2+])=CC(O)=C2C(O)C1O 41 259.0600999 C#CC(C#C)=C(CO)OC1=CC([OH2+])=CC(O)=C1C=O Intermediate Fragment 42 231.0651853 C#CC(C#C)=COC1=CC([OH2+])=CC(O)=C1CO 43 155.0338851 O=CC1=C(O)C=C([OH2+])C=C1O 44 259.0600999 C#CC(C#C)=COC1=CC([OH2+])=CC(O)=C1C(O)=CO Intermediate Fragment 45 259.0600999 C#CC(C#C)=CC(O)=C(O)C1=C(O)C=C([OH2+])C=C1O Intermediate Fragment 46 287.0550145 C=C(O)C=C1OC(=C2C=CC(=[OH+])C=C2)C(O)=C(O)C1=C=O Intermediate Fragment 47 271.0237144 O=C=C=C1OC(=C2C=CC(=[OH+])C=C2)C(O)=C(O)C1=C=O 48 243.0287997 C=C1OC(=C2C=CC(=[OH+])C=C2)C(=O)C(=O)C1=C=O 49 245.0444498 C=C1OC(=C2C=CC(=[OH+])C=C2)C(O)C(=O)C1=C=O 50 217.0495352 C=C1C=C(O)C(=O)C(=C2C=CC(=[OH+])C=C2)O1 51 245.0444498 [CH+]=C(O)C(=C=O)C(O)=C(O)C=C1C=CC(=O)C=C1 Intermediate Fragment 52 229.0131497 O=C1C=CC(=C2OC=C(C#[O+])C(=O)C2=O)C=C1 53 229.0131497 O=C=C(C#[O+])C(=O)C(O)=C=C1C=CC(=O)C=C1 Intermediate Fragment 54 201.0182351 O=C1C=CC(=[C+]C(=O)C(=O)C#CO)C=C1 55 105.0334912 [CH+]=C1C=CC(=O)C=C1 56 259.0600999 C=C(O)C=C1C=C(O)C(=O)C(=C2C=CC(=[OH+])C=C2)O1 57 243.0287997 O=C=[C+]C1=CC(O)=C(O)C(=C2C=CC(=O)C=C2)O1 58 215.0338851 [CH+]=C1C=C(O)C(=O)C(=C2C=CC(=O)C=C2)O1 59 259.0600999 C=C(O)C#CC=C(O)C(=O)C(O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 60 259.0600999 [CH+]=C(O)C=C(O)C=C(O)C(O)=C=C1C=CC(=O)C=C1 Intermediate Fragment 61 259.0600999 C=C(O)C#COC(C(=O)C(=C)O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 62 287.0550145 O=C=C=C(O)C=C1C=C(O)C(O)C(=C2C=CC(=[OH+])C=C2)O1 Intermediate Fragment 63 245.0444498 O=C=CC1=CC(=O)C(O)C(=C2C=CC(=[OH+])C=C2)O1 64 203.0338851 O=C1C=COC(=C2C=CC(=[OH+])C=C2)C1=O 65 151.002585 O=C=[C+]C1=CC(=O)C(O)=CO1 66 227.0338851 [C+]#CC1=CC(O)=C(O)C(=C2C=CC(=O)C=C2)O1 67 245.0444498 C=CC(=C=C=C=[OH+])C1OC(C#CO)=CC(O)=C1O Intermediate Fragment 68 217.0495352 C#CC(C#C)=C1OC(C#C[OH2+])=CC(O)C1O 69 245.0444498 O=C(C(O)=C=CC#CO)C(O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 70 177.0182351 O=C1C=CC(=C(O)C(=O)C#[O+])C=C1 71 151.0389705 O=CC(O)=C1C=CC(=[OH+])C=C1 72 149.0233204 O=C1C=CC(=C(O)C#[O+])C=C1 73 227.0338851 O=C1C=CC(=[C+]C(O)=C(O)C#CC#CO)C=C1 74 245.0444498 OC#CC(O)=C=C(O)C(O)=C=C1C=CC(=[OH+])C=C1 Intermediate Fragment 75 177.0546206 C=C(O)C(O)=C=C1C=CC(=[OH+])C=C1 76 175.0389705 [CH+]=C(O)C(O)=C=C1C=CC(=O)C=C1 77 161.0233204 O=C=C(O)[C+]=C1C=CC(=O)C=C1 78 135.0440559 O=C=CC1=CC=C([OH2+])C=C1 79 133.0284058 O=C=[C+]C1=CC=C(O)C=C1 80 107.0491413 C=C1C=CC(=[OH+])C=C1 81 139.002585 [O+]#CC(O)=C=C(O)C#CO 82 245.0444498 O=CC(O)=C=C(C#CO)OC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 83 217.0495352 OC#CC(=C=CO)OC=C1C=CC(=[OH+])C=C1 84 245.0444498 O=C=C=C(C#CO)OC(CO)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 85 245.0444498 C=C(C#CO)OC(C(O)=C=O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 86 245.0444498 C=C(O)C(=O)C(OC=C=C=O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 87 243.0287997 O=C=C=C=C=C(O)C(=O)C(O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 88 121.0284058 O=C=C1C=CC(=[OH+])C=C1 89 243.0287997 O=C=[C+]C(O)=C=C(O)C(O)=C=C1C=CC(=O)C=C1 Intermediate Fragment 90 225.0182351 O=C1C=CC(=[C+]C(=O)C(=O)C#CC#CO)C=C1 91 108.9920203 O=C=[C+]C(=O)C#CO 92 243.0287997 O=C1C=CC(=COC(=C=C(O)C#[O+])C#CO)C=C1 Intermediate Fragment 93 215.0338851 O=C=C=C(C#CO)OC=C1C=CC(=[OH+])C=C1 94 243.0287997 C=C(C#CO)OC(C(=O)C#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 95 243.0287997 C=C(O)C(=O)C(OC#CC#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 96 241.0131497 O=C=[C+]C1=CC(=O)C(=O)C(=C2C=CC(=O)C=C2)O1 97 241.0131497 O=C=C=C(C#CO)OC(C#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 98 257.0444498 [CH+]=C(O)C=C1C=C(O)C(=O)C(=C2C=CC(=O)C=C2)O1 99 257.0444498 [CH+]=C(O)C#CC=C(O)C(=O)C(O)=C1C=CC(=O)C=C1 Intermediate Fragment 100 257.0444498 [CH+]=C(O)C#COC(C(=O)C(=C)O)=C1C=CC(=O)C=C1 Intermediate Fragment 101 215.0338851 C=C(O)C#COC(C#[O+])=C1C=CC(=O)C=C1 102 187.0389705 C=C(O)C#C[O+]=C=C1C=CC(=O)C=C1 103 71.01275576 O=C=C=C[OH2+] 104 53.00219107 C#CC#[O+] 105 68.99710569 O=C=C=C=[OH+] 106 215.0338851 [C+]#CC=C(O)C(=O)C(O)=C1C=CC(=O)C=C1 Intermediate Fragment 107 215.0338851 [C+]#COC(C(=O)C(=C)O)=C1C=CC(=O)C=C1 Intermediate Fragment 108 173.0233204 C#COC(C#[O+])=C1C=CC(=O)C=C1 109 145.0284058 C#C[O+]=C=C1C=CC(=O)C=C1 110 217.0495352 [CH+]=C(O)C=C(O)C(O)=C=C1C=CC(=O)C=C1 Intermediate Fragment 111 199.0389705 [C+]#CC=C(O)C(O)=C=C1C=CC(=O)C=C1 112 219.0651853 C=C1C=C(O)C(O)C(=C2C=CC(=[OH+])C=C2)O1 113 203.0338851 O=C=C=C(O)C(O)=C=C1C=CC(=[OH+])C=C1 Intermediate Fragment 114 203.0338851 O=C1C=CC(=COC=C=C(O)C#[O+])C=C1 Intermediate Fragment 115 147.0440559 C#COC=C1C=CC(=[OH+])C=C1 116 175.0389705 O=CC#COC=C1C=CC(=[OH+])C=C1 117 203.0338851 O=C=C=COC(C=O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 118 175.0389705 C#COC(C=O)=C1C=CC(=[OH+])C=C1 119 203.0338851 C=COC(C(=O)C#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 120 287.0550145 CC(O)=C=C(O)C1=COC(=C2C=CC(=[OH+])C=C2)C(=O)C1=O Intermediate Fragment 121 271.0237144 O=C(C#CO)C1=COC(=C2C=CC(=[OH+])C=C2)C(=O)C1=O 122 85.02840582 CC([OH2+])=C=C=O 123 67.01784114 CC#CC#[O+] 124 67.01784114 C#CC(=[CH+])O 125 287.0550145 C=C1OC(=C2C=CC(=[OH+])C=C2)C(O)C(O)=C1C(O)=C=C=O Intermediate Fragment 126 257.0444498 [CH+]=C(O)C1=C(O)C(=O)C(=C2C=CC(=O)C=C2)OC1=C 127 241.0131497 [CH+]=C1OC(=C2C=CC(=O)C=C2)C(=O)C(=O)C1=C=O 128 239.0338851 [C+]#CC1=C(O)C(=O)C(=C2C=CC(=O)C=C2)OC1=C 129 257.0444498 C#CC(C(=[CH+])O)=C(O)C(=O)C(O)=C1C=CC(=O)C=C1 Intermediate Fragment 130 257.0444498 C=C(O)C(=C=O)C(=C)OC(C#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 131 229.0495352 C=C(O)C(=C=O)C(=C)[O+]=C=C1C=CC(=O)C=C1 132 257.0444498 C#COC(C(=O)C(O)=CC(=[CH+])O)=C1C=CC(=O)C=C1 Intermediate Fragment 133 259.0600999 C=C(O)C1=C(O)C(=O)C(=C2C=CC(=[OH+])C=C2)OC1=C 134 241.0495352 C#CC1=C(O)C(=O)C(=C2C=CC(=[OH+])C=C2)OC1=C 135 259.0600999 C#CC(C(=C)O)=C(O)C(=O)C(O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 136 259.0600999 [CH+]=C(O)C(C(=C)O)=C(O)C(O)=C=C1C=CC(=O)C=C1 Intermediate Fragment 137 241.0495352 C#CC(C(=[CH+])O)=C(O)C(O)=C=C1C=CC(=O)C=C1 138 259.0600999 C=C(O)C(C(=C)OC=C1C=CC(=O)C=C1)=C(O)C#[O+] Intermediate Fragment 139 259.0600999 C=C(O)C(=C=O)C(=C)OC(C=O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 140 231.0651853 C=C(O)C(=C=O)C(=C)OC=C1C=CC(=[OH+])C=C1 141 259.0600999 C#COC(C(=O)C(O)=CC(=C)O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 142 241.0131497 [C+]#CC(=C=O)C(=O)C(=O)C(O)=C1C=CC(=O)C=C1 Intermediate Fragment 143 241.0131497 [C+]#COC(C(=O)C(=O)C#CO)=C1C=CC(=O)C=C1 Intermediate Fragment 144 287.0550145 C=C(O)C1=C(O)C(O)C(=C2C=CC(=[OH+])C=C2)OC1=C=C=O Intermediate Fragment 145 287.0550145 O=CC(OC1=CC(O)=CC(O)=C1C=O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 146 95.04914126 [OH+]=C1C=CCC=C1 147 123.0440559 OC=C1C=CC(=[OH+])C=C1 148 137.0233204 [O+]#CC1=C(O)C=C(O)C=C1 149 137.0233204 C=C(O)C=CC(=C=O)C#[O+] Intermediate Fragment 150 137.0233204 O=C=C=C([OH2+])C=C=C=CO Intermediate Fragment 151 137.0233204 C=C=C(C=O)C(O)=C=C=[OH+] Intermediate Fragment 152 137.0233204 C=C(O)C(=C=C=C=[OH+])C=O Intermediate Fragment 153 109.0284058 C#CC(=C=O)C(=C)[OH2+] 154 139.0389705 O=CC1=C(O)C=C([OH2+])C=C1 155 111.0440559 OC1=CC=CC([OH2+])=C1 156 257.0444498 O=C1C=CC(=C(C#[O+])OC2=CC(O)=CC(O)=C2)C=C1 157 229.0495352 O=C1C=CC(=C=[O+]C2=CC(O)=CC(O)=C2)C=C1 158 259.0600999 O=CC(OC1=CC(O)=CC(O)=C1)=C1C=CC(=[OH+])C=C1 159 231.0651853 OC1=CC(O)=CC(OC=C2C=CC(=[OH+])C=C2)=C1 160 259.0600999 C=C(O)C=C(C=C=O)OC(C=O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 161 259.0600999 CC(=CC(O)=C=C=O)OC(C=O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 162 259.0600999 CC(O)=C=C(O)C=C=[O+]C(C=O)=C1C=CC(=O)C=C1 Intermediate Fragment 163 259.0600999 O=C1C=C(O)C=C(OC=C2C=CC(=[OH+])C=C2)C1=CO 164 241.0495352 O=C=C1C(=O)C=C(O)C=C1[O+]=C=C1C=CCC=C1 165 241.0495352 O=C1C=CC(=COC2=CC(O)=CC=C2C#[O+])C=C1 166 259.0600999 CC(O)=C=C=C(C)C=[O+]C1=CC(O)=CC(=O)C1=C=O Intermediate Fragment 167 259.0600999 C=CC(=C=C=C=[OH+])COC1=CC(O)=CC(O)=C1C=O Intermediate Fragment 168 259.0600999 C=C(O)C=C(OC=C1C=CC(=[OH+])C=C1)C(=C=O)C=O Intermediate Fragment 169 259.0600999 O=C=C=C(O)C=C(C=CO)OC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 170 259.0600999 OC#CC(O)=C=C(O)C=COC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 171 259.0600999 C=C(O)C(=CO)C(=C=C=O)OC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 172 257.0444498 O=C=C1C(=O)C=C(O)C=C1OC=C1C=CC(=[OH+])C=C1 173 239.0338851 O=C=C1C(=O)C=CC=C1[O+]=C=C1C=CC(=O)C=C1 174 257.0444498 C=CC(=C=C=C=O)COC1=CC(O)=CC(O)=C1C#[O+] Intermediate Fragment 175 227.0338851 C#CC(C#C)=COC1=CC([OH2+])=CC(=O)C1=C=O 176 257.0444498 C=C(O)C=C(OC=C1C=CC(=O)C=C1)C(=C=O)C#[O+] Intermediate Fragment 177 257.0444498 O=C=C=C(O)C=C(C#CO)OC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 178 229.0495352 C=C(O)C=C(C#CO)[O+]=C=C1C=CC(=O)C=C1 179 257.0444498 O=C1C=CC(=C[O+]=C=CC(O)=C=C(O)C#CO)C=C1 Intermediate Fragment 180 257.0444498 C=C(OC=C1C=CC(=[OH+])C=C1)C(=C=O)C(O)=C=C=O Intermediate Fragment 181 257.0444498 C=C(O)C(=C=O)C(=C=C=O)OC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 182 255.0287997 O=C=C1C(=O)C=C(O)C=C1[O+]=C=C1C=CC(=O)C=C1 183 255.0287997 O=C=C=C(O)C=C(C#CO)[O+]=C=C1C=CC(=O)C=C1 Intermediate Fragment 184 153.0182351 C=C(O)C=C(O)C(=C=O)C#[O+] Intermediate Fragment 185 43.01784114 C#C[OH2+] 186 111.0076704 C=C(O)C(=C=O)C#[O+] 187 125.0233204 [CH+]=C(O)C=C(O)C#CO 188 83.01275576 [CH+]=C(O)C#CO 189 153.0182351 O=C=C=C([OH2+])C=C(O)C#CO Intermediate Fragment 190 111.0076704 O=C=CC(O)=C=C=[OH+] 191 153.0182351 C=C(O)C(=C=O)C(O)=C=C=[OH+] Intermediate Fragment 192 125.0233204 [CH+]=C(O)C(=C=O)C(=C)O 193 287.0550145 O=C=C(O)C1=C(O)C=C(O)C=C1OC=C1C=CC(=[OH+])C=C1 Intermediate Fragment 194 165.0182351 O=C(C#[O+])C1=C(O)C=C(O)C=C1 195 167.0338851 O=CC(=O)C1=C(O)C=C([OH2+])C=C1 196 59.01275576 O=C=C[OH2+] 197 41.00219107 [C+]#CO 198 181.0131497 O=C(C#[O+])C1=C(O)C=C(O)C=C1O 199 287.0550145 O=C(C(O)=C=C1C=CC(=[OH+])C=C1)C1=C(O)C=C(O)C=C1O Intermediate Fragment 200 269.0444498 O=C1C=CC(=[C+]C(=O)C(=O)C2=C(O)C=C(O)C=C2)C=C1 201 105.0334912 C=CC([CH2+])=C=C=C=O Intermediate Fragment 202 77.03857658 C#CC(=C)[CH+]#C 203 287.0550145 O=C(C(=O)C1=C(O)C=C(O)C=C1)C(O)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 204 111.0440559 C=C([OH2+])C=CC=C=O Intermediate Fragment 205 83.04914126 C=C([OH2+])C#CC 206 111.0440559 CC=CC([OH2+])=C=C=O Intermediate Fragment 207 121.0284058 C=CC(=C=C=C=[OH+])C=O Intermediate Fragment 208 93.0334912 C#CC(C#C)=C[OH2+] 209 287.0550145 O=C=C(O)C(OC1=CC(O)=CC(O)=C1)=C1C=CC(=[OH+])C=C1 Intermediate Fragment 210 285.0393644 O=C1C(=O)C2=C(O)C=C(O)C=C2OC1=C1C=CC(=[OH+])C=C1 211 285.0393644 O=C=C=C(O)C=C1C=C(O)C(=O)C(=C2C=CC(=[OH+])C=C2)O1 Intermediate Fragment 212 285.0393644 O=CC(OC1=CC(O)=CC(O)=C1C#[O+])=C1C=CC(=O)C=C1 Intermediate Fragment 213 285.0393644 O=C1C=CC(=COC2=CC(O)=CC(O)=C2C(=O)C#[O+])C=C1 Intermediate Fragment 214 285.0393644 O=C1C=CC(=C(OC2=CC(O)=CC(O)=C2)C(=O)C#[O+])C=C1 Intermediate Fragment