#In-silico MS/MS By CFM-ID Version 4.0.0 #POSITIVE ESI IONIZATION [M+H]+ energy0 252.1019051 2.128582936 52 (2.1286) 270.1124698 34.99210422 2 12 64 81 86 89 91 90 85 72 84 76 63 80 70 78 69 77 (27.947 4.4315 0.60563 0.40803 0.31599 0.29417 0.27038 0.25793 0.1235 0.098961 0.067255 0.049062 0.041483 0.032207 0.015638 0.013286 0.013202 0.0066167) 288.1230345 9.637419049 11 14 20 28 29 16 30 27 25 23 21 26 13 128 (9.5116 0.024113 0.023367 0.019081 0.013381 0.013126 0.011443 0.0087826 0.0044174 0.0034554 0.0021894 0.0012817 0.00086125 0.00027417) 312.1230345 6.80698307 50 3 8 53 9 7 10 203 183 (5.9302 0.78852 0.053457 0.015866 0.0063342 0.005923 0.0043385 0.0012702 0.0010807) 330.1335992 43.83598462 0 135 95 200 182 127 175 109 205 177 170 161 165 92 168 108 171 160 (43.358 0.13701 0.064278 0.058024 0.057595 0.03513 0.028129 0.027067 0.02051 0.019721 0.011321 0.0050428 0.0041165 0.00304 0.0023628 0.0023621 0.0010291 0.00099979) energy1 252.1019051 8.353044737 52 (8.353) 270.1124698 40.15123817 2 12 64 81 85 72 90 89 76 84 91 86 63 78 80 69 70 77 (21.971 11.565 2.4862 1.4776 0.84329 0.39469 0.25046 0.22046 0.20212 0.16082 0.11593 0.11316 0.091827 0.086497 0.072124 0.035557 0.032672 0.031214) 286.1073844 3.955836494 15 35 38 37 33 36 129 24 31 (3.4293 0.42002 0.040383 0.035547 0.015323 0.0092162 0.0058484 0.00014443 7.7899e-05) 288.1230345 9.481094091 11 21 14 26 16 29 25 28 23 128 30 27 13 20 (8.6518 0.31044 0.29801 0.077173 0.025916 0.024196 0.018143 0.01729 0.016537 0.012757 0.008919 0.0085748 0.0059142 0.0054318) 330.1335992 21.41924043 0 135 95 170 175 200 109 182 171 127 205 177 165 161 92 108 160 168 (18.827 1.1265 0.69134 0.15859 0.12435 0.096437 0.095993 0.068092 0.04893 0.046343 0.033133 0.030629 0.02735 0.019285 0.010895 0.007831 0.0037337 0.0026205) energy2 43.01784114 6.410969607 47 (6.411) 105.0546206 2.638342351 112 (2.6383) 147.0440559 1.539390817 115 (1.5394) 182.0964258 1.485524711 120 (1.4855) 198.0913404 3.048288876 117 119 79 (1.4706 0.94443 0.63329) 224.070605 4.585581256 34 75 (4.0844 0.50118) 226.086255 5.456550345 17 118 116 114 113 74 (1.7449 1.3108 0.91562 0.76112 0.59624 0.1279) 228.1019051 7.31649464 121 18 123 122 73 (2.5017 1.9999 1.2858 1.2858 0.24315) 230.1175552 2.425185506 125 19 124 126 (0.8032 0.70001 0.68257 0.23941) 240.1019051 4.461124322 133 71 188 (3.2804 1.095 0.085694) 250.086255 3.902823684 51 (3.9028) 252.1019051 1.728043516 52 (1.728) 256.0968197 4.45153559 162 132 (2.9538 1.4978) 258.1124698 1.472061088 163 22 186 (0.96769 0.35026 0.15412) 266.0811697 4.911417144 40 5 (4.4109 0.50052) 268.0968197 1.772166587 32 6 56 61 57 59 60 (1.3005 0.17823 0.10687 0.064299 0.052687 0.039102 0.030459) 270.1124698 4.037830327 12 2 64 80 72 81 90 70 89 78 86 91 76 69 63 77 84 85 (3.2553 0.30213 0.12 0.065324 0.063557 0.036227 0.033674 0.023584 0.022203 0.021504 0.020975 0.019115 0.015546 0.011957 0.0093419 0.006124 0.0056982 0.0056077) 282.1124698 1.702051558 195 194 (0.91111 0.79094) 286.1073844 3.164674459 15 33 31 129 24 35 36 38 37 (0.83344 0.46799 0.43034 0.42888 0.35403 0.21448 0.17405 0.15757 0.1039) 298.1073844 3.016225054 193 179 111 (1.1909 0.9766 0.84877) 312.1230345 1.816350668 203 183 3 50 7 9 8 10 53 (0.92661 0.86565 0.0057615 0.0041822 0.0037109 0.0030582 0.0030258 0.0025583 0.0017892) 314.102299 3.771622478 178 1 96 93 (2.3608 0.66856 0.53741 0.20484) 328.1179491 5.294485087 94 206 107 169 204 199 167 164 181 134 106 (2.0605 0.48504 0.38931 0.37989 0.37336 0.36346 0.30153 0.30078 0.27461 0.22277 0.14328) 0 330.1335992 CC(=[OH+])OC1C(O)C=C2CCN3Cc4cc5c(cc4C1C23)OCO5 1 314.102299 OC1=C(OC=[OH+])C2C3=CC4OCOC4C=C3CN3C=CC(=C1)C23 2 270.1124698 [OH2+]C1=CC2C3=CC4OCOC4C=C3CN3C=CC(=C1)C23 3 312.1230345 C#COC1C([OH2+])C=C2C=CN3CC4=CC5OCOC5C=C4C1C23 4 294.1124698 C#C[OH+]C1=CC=C2C=CN3CC4=CC5OCOC5C=C4C1C23 5 266.0811697 [OH2+]C1=CC2=C3C(=C1)C=CN3CC1=CC3=C(C=C12)OCO3 6 268.0968197 [OH2+]C1=CC2C3=CC4=C(C=C3CN3C=CC(=C1)C23)OCO4 7 312.1230345 C#COC1C([OH2+])=CC(=C=C)C2NCC3=CC4OCOC4C=C3C21 Intermediate Fragment 8 312.1230345 C#COCC([OH2+])=C=C1C=CN2CC3=CC4OCOC4C=C3CC12 Intermediate Fragment 9 312.1230345 C#COC1C([OH2+])C=C2C=CN3CC4=CC(OC=O)CC=C4C1C23 Intermediate Fragment 10 312.1230345 C#COC1=C([OH2+])C=C2C=CN3CC4=CC(OC)C(O)C=C4C1C23 Intermediate Fragment 11 288.1230345 OC1C([OH2+])C=C2C=CN3CC4=CC5OCOC5C=C4C1C23 12 270.1124698 [OH2+]C1=CC=C2C=CN3CC4=CC5OCOC5C=C4C1C23 13 288.1230345 C=C1C=C([OH2+])C(O)C2C3=CC4=C(C=C3CN(C)C12)OCO4 Intermediate Fragment 14 288.1230345 C=C=C1C=C([OH2+])C(O)C2C3=CC4OCOC4C=C3CNC12 Intermediate Fragment 15 286.1073844 C#CC1=CC([OH2+])C(O)C2C3=CC4OCOC4C=C3C=NC12 16 288.1230345 C=C1C=CN2CC3=CC4OCOC4C=C3C(C(O)=C[OH2+])C12 Intermediate Fragment 17 226.086255 [CH3+]=C1C=CN2CC3=CC4=C(C=C3C=C12)OCO4 18 228.1019051 [CH3+]=C1C=CN2CC3=CC4=C(C=C3CC12)OCO4 19 230.1175552 [CH3+]=C1C=CN2CC3=CC4OCOC4C=C3CC12 20 288.1230345 OCC1C2=CC3OCOC3C=C2CN2C=CC(=C=C[OH2+])C12 Intermediate Fragment 21 288.1230345 OCC([OH2+])=C=C1C=CN2CC3=CC4OCOC4C=C3CC12 Intermediate Fragment 22 258.1124698 [OH2+]C=C=C1C=CN2CC3=CC4OCOC4C=C3CC12 23 288.1230345 C=C1CN2C=CC3=CC([OH2+])C(O)C(C1=C=C1COCO1)C32 Intermediate Fragment 24 286.1073844 C=C1CN2C=CC3=CC([OH2+])=C(O)C(C1=C=C1COCO1)C32 25 288.1230345 C=C1C(=C=C2COCO2)CN2C=CC3=CC([OH2+])C(O)C1C32 Intermediate Fragment 26 288.1230345 OC1=C([OH2+])C=C2C=CN(CC3=CC4OCOC4C=C3)C2C1 Intermediate Fragment 27 288.1230345 COC1C=C2C(=CC1O)CN1C=CC3=CC([OH2+])=C(O)C2C31 Intermediate Fragment 28 288.1230345 O=COC1C=C2C(=CC1)CN1C=CC3=CC([OH2+])C(O)C2C31 Intermediate Fragment 29 288.1230345 O=COC1C=C2CN3C=CC4=CC([OH2+])C(O)C(C2=CC1)C43 Intermediate Fragment 30 288.1230345 COC1C=C2CN3C=CC4=CC([OH2+])=C(O)C(C2=CC1O)C43 Intermediate Fragment 31 286.1073844 COC1=C(O)C=C2C(=C1)CN1C=CC3=CC([OH2+])=C(O)C2C31 32 268.0968197 [OH2+]C1=CC=C2C=CN3CC4=CC5=C(C=C4C1C23)OCO5 33 286.1073844 C=C1C=CN2CC3=CC4OCOC4C=C3C(C(O)=C=[OH+])C12 Intermediate Fragment 34 224.070605 [CH+]=C1C=CN2CC3=CC4=C(C=C3C=C12)OCO4 35 286.1073844 OCC([OH2+])=C=C1C=CN2CC3=CC4=C(C=C3CC12)OCO4 Intermediate Fragment 36 286.1073844 C=C1C(=C=C2COCO2)CN2C=CC3=CC([OH2+])=C(O)C1C32 Intermediate Fragment 37 286.1073844 O=COC1C=C2C(=CC1)CN1C=CC3=CC([OH2+])=C(O)C2C31 Intermediate Fragment 38 286.1073844 O=COC1C=C2CN3C=CC4=CC([OH2+])=C(O)C(C2=CC1)C43 Intermediate Fragment 39 284.0917343 OC1=C([OH2+])C=C2C=CN3CC4=CC5=C(C=C4C1C23)OCO5 40 266.0811697 [OH2+]C1=CC=C2C=CN3CC4=CC5=C(C=C4C1=C23)OCO5 41 284.0917343 C=C=C1C=C([OH2+])C(O)C2C3=CC4=C(C=C3C=NC12)OCO4 Intermediate Fragment 42 284.0917343 C=C1C=CN2CC3=CC4=C(C=C3C(C(O)=C=[OH+])C12)OCO4 Intermediate Fragment 43 284.0917343 OCC([OH2+])=C=C1C=CN2CC3=CC4=C(C=C3C=C12)OCO4 Intermediate Fragment 44 284.0917343 C=C1C(=C=C2COCO2)CN2C=CC3=CC([OH2+])=C(O)C1=C32 Intermediate Fragment 45 284.0917343 COC1=C(O)C=C2CN3C=CC4=CC([OH2+])=C(O)C(=C43)C2=C1 Intermediate Fragment 46 284.0917343 O=COC1=CC=C2C(=C1)CN1C=CC3=CC([OH2+])=C(O)C2C31 Intermediate Fragment 47 43.01784114 C#C[OH2+] 48 45.0334912 C=C[OH2+] 49 47.04914126 CC[OH2+] 50 312.1230345 C=C([OH2+])OC1=CC=C2C=CN3CC4=CC5OCOC5C=C4C1C23 51 250.086255 C1=CC2=C3C(=C1)C1=CC4=C(C=C1C[NH+]3C=C2)OCO4 52 252.1019051 C1=CC2C3=CC4=C(C=C3C[NH+]3C=CC(=C1)C23)OCO4 53 312.1230345 C=C([OH2+])OC=C=C=C1C=CN2CC3=CC4OCOC4C=C3CC12 Intermediate Fragment 54 63.04405588 CC(O)[OH2+] 55 61.02840582 C=C(O)[OH2+] 56 268.0968197 C=C=C1C=C([OH2+])CC2C3=CC4=C(C=C3C=NC12)OCO4 Intermediate Fragment 57 268.0968197 C=C1C(=C=C2COCO2)CN2C=CC3=CC([OH2+])=CC1=C32 Intermediate Fragment 58 196.0756904 [CH+]=C1CN2C=CC3=CC(O)=CC(=C32)C1=C 59 268.0968197 CC1=CC2=C(C=C1C1=C3NC=CC3=CC([OH2+])=C1)OCO2 Intermediate Fragment 60 268.0968197 COC1=C(O)C=C2CN3C=CC4=CC([OH2+])=CC(=C43)C2=C1 Intermediate Fragment 61 268.0968197 O=COC1=CC=C2C(=C1)CN1C=CC3=CC([OH2+])=CC2C31 Intermediate Fragment 62 222.0913404 [OH2+]C1=CC2=C3C(=C1)C=CN3CC1=CC=CC=C12 63 270.1124698 C=C1C=C([OH2+])CC2=C1N(C)CC1=CC3=C(C=C12)OCO3 Intermediate Fragment 64 270.1124698 C=C=C1C=C([OH2+])CC2C3=CC4OCOC4C=C3C=NC12 Intermediate Fragment 65 254.0811697 C=C1C=C([OH2+])CC2=C3C=C4OCOC4=CC3=CN=C12 66 244.0968197 [OH2+]C1=CC2C3=CC4OCOC4C=C3C=NC2C=C1 67 242.0811697 [OH2+]C1=CC2C3=CC4=C(C=C3C=NC2C=C1)OCO4 68 240.0655196 [OH2+]C1=CC2=C(C=C1)N=CC1=CC3=C(C=C12)OCO3 69 270.1124698 C=CN1CC2=CC3=C(C=C2C2C=C([OH2+])C=CC21)OCO3 Intermediate Fragment 70 270.1124698 C=C1C=CN2CC3=CC4OCOC4C=C3C(C=C=[OH+])C12 Intermediate Fragment 71 240.1019051 CC1=C2C(=[CH3+])C=CN2CC2=CC3=C(C=C21)OCO3 72 270.1124698 CC1C2=CC3OCOC3C=C2CN2C=CC(=C=C=[OH+])C12 Intermediate Fragment 73 228.1019051 [CH4+]C1C2=CC3=C(C=C2CN2C=CC=C12)OCO3 74 226.086255 [CH3+]=C1C2=CC3=C(C=C2CN2C=CC=C12)OCO3 75 224.070605 [CH+]=C1C2=CC3=C(C=C2CN2C=CC=C12)OCO3 76 270.1124698 CC([OH2+])=C=C1C=CN2CC3=CC4=C(C=C3CC12)OCO4 Intermediate Fragment 77 270.1124698 C=C([OH2+])CC1C2=CC3=C(C=C2CN2C=CC=C12)OCO3 Intermediate Fragment 78 270.1124698 C=C1CN2C=CC3=CC([OH2+])=CC(C1=C=C1COCO1)C32 Intermediate Fragment 79 198.0913404 C=C1CN2C=CC3=CC([OH2+])=CC(=C32)C1=C 80 270.1124698 C=C1C(=C=C2COCO2)CN2C=CC3=CC([OH2+])=CC1C32 Intermediate Fragment 81 270.1124698 CC1=CC2=C(C=C1C1C=C([OH2+])C=C3C=CNC31)OCO2 Intermediate Fragment 82 254.0811697 [OH2+]C1=CC(C2=CC3=C(C=C2)OCO3)=C2NC=CC2=C1 83 134.0600403 [OH+]=C1C=CC2NC=CC2=C1 84 270.1124698 [OH2+]C1=CCC2C(=C1)C=CN2CC1=CC2=C(C=C1)OCO2 Intermediate Fragment 85 270.1124698 CN1C=CC2=CC([OH2+])=CC(C3=CC4=C(C=C3)OCO4)C21 Intermediate Fragment 86 270.1124698 COC1=C(O)C=C2CN3C=CC4=CC([OH2+])=CC(C2=C1)C43 Intermediate Fragment 87 254.0811697 OC1=C(O)C=C2C(=C1)CN1C=CC3=CC([OH2+])=CC2=C31 88 238.086255 OC1=CC=C2C(=C1)CN1C=CC3=CC([OH2+])=CC2=C31 89 270.1124698 O=COC1C=C2C(=CC1)CN1C=CC3=CC([OH2+])=CC2C31 Intermediate Fragment 90 270.1124698 O=COC1C=C2CN3C=CC4=CC([OH2+])=CC(C2=CC1)C43 Intermediate Fragment 91 270.1124698 COC1=C(O)C=C2C(=C1)CN1C=CC3=CC([OH2+])=CC2C31 Intermediate Fragment 92 330.1335992 C=C([OH2+])OC1C(O)=CC(=C)C2C1C1=CC3=C(C=C1CN2C)OCO3 Intermediate Fragment 93 314.102299 C=C([OH2+])OC1=C(O)C=CC2=C1C1=CC3=C(C=C1CN2C)OCO3 94 328.1179491 C=C([OH2+])OC1C(O)=CC(=C)C2=C1C1=CC3=C(C=C1CN2C)OCO3 95 330.1335992 C=C=C1C=C(O)C(OC(=C)[OH2+])C2C3=CC4OCOC4C=C3CNC12 Intermediate Fragment 96 314.102299 C=C([OH2+])OC1C(O)=CC(=C)C2N=CC3=CC4=C(C=C3C21)OCO4 97 304.1179491 C=C([OH2+])OC1C(O)C=CC2N=CC3=CC4OCOC4C=C3C21 98 304.1179491 C=C([OH2+])OCC(O)=C=CC1CC2=CC3OCOC3C=C2C=N1 Intermediate Fragment 99 302.102299 C=C([OH2+])OC1=C(O)C=CC2N=CC3=CC4OCOC4C=C3C12 100 260.0917343 OC1=C([OH2+])C=CC2N=CC3=CC4OCOC4C=C3C12 101 302.102299 C=C([OH2+])OCC(O)=C=C=C1CC2=CC3OCOC3C=C2C=N1 Intermediate Fragment 102 300.086649 C=C([OH2+])OC1=C(O)C=CC2N=CC3=CC4=C(C=C3C12)OCO4 103 300.086649 C=C([OH2+])OCC1C(=C=C=C=O)N=CC2=CC3OCOC3C=C21 Intermediate Fragment 104 272.0917343 C#CC1N=CC2=CC3=C(C=C2C1COC(=C)[OH2+])OCO3 105 300.086649 C=C([OH2+])OCC(O)=C=C=C1CC2=CC3=C(C=C2C=N1)OCO3 Intermediate Fragment 106 328.1179491 C#CC1=CC(O)C(OC(=C)[OH2+])C2C3=CC4OCOC4C=C3C=NC12 107 328.1179491 C#CC(=C=C(O)COC(=C)[OH2+])C1CC2=CC3OCOC3C=C2C=N1 Intermediate Fragment 108 330.1335992 C=CN1CC2=CC3OCOC3C=C2C2C(OC(=C)[OH2+])=C(O)C=CC21 Intermediate Fragment 109 330.1335992 C=C([OH2+])OC(=CO)C1C2=CC3OCOC3C=C2CN2C=CC(=C)C12 Intermediate Fragment 110 300.1230345 C=C([OH2+])OCC1C2=CC3=C(C=C2CN2C=CC(=C)C12)OCO3 111 298.1073844 C=C([OH2+])OCC1=C2C(=C)C=CN2CC2=CC3=C(C=C21)OCO3 112 105.0546206 C=C([OH2+])OCCO 113 226.086255 C=C=C([CH4+])C1=CC2=CC3=C(C=C2C=N1)OCO3 Intermediate Fragment 114 226.086255 [CH+]=C1C=CNC1=CC1=CC2=C(C=C1C)OCO2 Intermediate Fragment 115 147.0440559 [CH+]=C1C=C2OCOC2=CC1=C 116 226.086255 [CH3+]=C1C=CN2CC3=CC=C(OC=O)C=C3C=C12 Intermediate Fragment 117 198.0913404 C=C1C=CN2C=C3C=CC(=[OH+])C=C3CC12 118 226.086255 [CH3+]=C1C=CN2CC3=CC(OC=O)=CC=C3C=C12 Intermediate Fragment 119 198.0913404 C=C1C=CN2CC3=CC([OH2+])=CC=C3C=C12 120 182.0964258 [CH3+]=C1C=CN2CC3=CC=CC=C3C=C12 121 228.1019051 [CH3+]=C=C=CN1CCC2=CC3=C(C=C2C1)OCO3 Intermediate Fragment 122 228.1019051 [CH3+]=C1C=CN2CC3=CC=C(OC=O)C=C3CC12 Intermediate Fragment 123 228.1019051 [CH3+]=C1C=CN2CC3=CC(OC=O)=CC=C3CC12 Intermediate Fragment 124 230.1175552 C=C([CH4+])C1=CC2=CC3=C(C=C2CN1C)OCO3 Intermediate Fragment 125 230.1175552 [CH3+]=C=C=CN1CCC2=CC3OCOC3C=C2C1 Intermediate Fragment 126 230.1175552 CN1C=CC(=[CH3+])C1CC1=CC2=C(C=C1)OCO2 Intermediate Fragment 127 330.1335992 C=C([OH2+])OCC1C2=CC3OCOC3C=C2CN2C=CC(=C=CO)C12 Intermediate Fragment 128 288.1230345 C=C([OH2+])OCC1C2=CC3OCOC3C=C2CN2C=CC=C12 129 286.1073844 C=C([OH2+])OCC1C2=CC3=C(C=C2CN2C=CC=C12)OCO3 130 284.0917343 C=C([OH2+])OC=C1C2=CC3=C(C=C2CN2C=CC=C12)OCO3 131 254.0811697 [OH+]=C=C=C1C=CN2CC3=CC4=C(C=C3CC12)OCO4 132 256.0968197 [OH+]=C=C=C1C=CN2CC3=CC4OCOC4C=C3CC12 133 240.1019051 C=[CH+]=C1C=CN2CC3=CC4=C(C=C3CC12)OCO4 134 328.1179491 C=C([OH2+])OCC1C2=CC3OCOC3C=C2CN2C=CC(=C=C=O)C12 135 330.1335992 C=C([OH2+])OCC(O)=C=C1C=CN2CC3=CC4OCOC4C=C3CC12 Intermediate Fragment 136 216.1019051 C1=C[NH+]2C=C3C=C4OCOC4=CC3CC2C1 137 214.086255 C1=C[NH+]2C=C3C=C4OCOC4=CC3CC2=C1 138 214.086255 C=C[NH+]1C=C2C=C3OCOC3=CC2=CC1=C Intermediate Fragment 139 214.086255 CC1=CC2=C(C=C1C=C1C=CC=[NH+]1)OCO2 Intermediate Fragment 140 214.086255 C=C1C=C2OCOC2=CC1=C[NH+]1C=CC=C1 Intermediate Fragment 141 214.086255 COC1=CC2=CC3=CC=C[NH+]3CC2=CC1=O Intermediate Fragment 142 214.086255 O=COC1=CC=C2C[NH+]3C=CC=C3CC2=C1 Intermediate Fragment 143 214.086255 O=COC1=CC=C2CC3=CC=C[NH+]3CC2=C1 Intermediate Fragment 144 214.086255 COC1=CC2=C[NH+]3C=CC=C3CC2=CC1=O Intermediate Fragment 145 212.070605 C1=C[NH+]2C=C3C=C4OCOC4=CC3=CC2=C1 146 212.070605 O=COC1=CC2=CC3=CC=C[NH+]3C=C2C=C1 Intermediate Fragment 147 212.070605 O=COC1=CC2=C[NH+]3C=CC=C3C=C2C=C1 Intermediate Fragment 148 115.0389705 C=C(O)C=[O+]C(=C)O 149 117.0546206 C=C(O)COC(=C)[OH2+] 150 99.04405588 C#CCOC(=C)[OH2+] 151 119.0702706 C=C([OH2+])OCC(C)O 152 101.0597059 C=CCOC(=C)[OH2+] 153 103.0389705 C=C([OH2+])OC=CO 154 61.02840582 OC=C[OH2+] 155 101.0233204 C=C([OH2+])OC#CO 156 77.05970595 COC(C)[OH2+] 157 75.04405588 C=C([OH2+])OC 158 57.0334912 C#C[OH+]C 159 73.02840582 C=[O+]C(=C)O 160 330.1335992 C=C([OH2+])OC(C(=C)O)C1C2=CC3OCOC3C=C2CN2C=CC=C12 Intermediate Fragment 161 330.1335992 C=C([OH2+])OC1C(O)C=C2C=CN3CC(=C)C(=C=C4COCO4)C1C23 Intermediate Fragment 162 256.0968197 C=C([OH2+])OC1=C(O)C=C2C=CN3CC(=C)C(=C)C1=C23 163 258.1124698 C=C([OH2+])OC1=C(O)C=C2C=CN3CC(=C)C(=C)C1C23 164 328.1179491 C=C([OH2+])OC1=C(O)C=C2C=CN3CC(=C)C(=C=C4COCO4)C1C23 165 330.1335992 C=C([OH2+])OC1C(O)C=C2C=CN3CC(=C=C4COCO4)C(=C)C1C23 Intermediate Fragment 166 244.0968197 C=C([OH2+])OC1=C(O)C=C2C=CN3C=CC(=C)C1C23 167 328.1179491 C=C([OH2+])OC1=C(O)C=C2C=CN3CC(=C=C4COCO4)C(=C)C1C23 168 330.1335992 C=C([OH2+])OC1C(O)C=C2C=CN3CC(=C=C4OCOC4=C)CC1C23 Intermediate Fragment 169 328.1179491 C=C([OH2+])OC1C2=CC(=C=C3OCOC3=C)CN3C=CC(=CC1O)C23 170 330.1335992 C=C([OH2+])OC1=C(O)C=C2C=CNC2C1C1=CC2OCOC2C=C1C Intermediate Fragment 171 330.1335992 C=C([OH2+])OC1=C(O)C=C2C=CN(CC3=CC4OCOC4C=C3)C2C1 Intermediate Fragment 172 208.0968197 C=C([OH2+])OC1=C(O)C=C2C=CN(C)C2C1 173 194.0811697 C=C([OH2+])OC1=C(O)C=C2C=CNC2C1 174 139.075356 [CH4+]C1=CC2OCOC2C=C1 175 330.1335992 C=C([OH2+])OC1=C(O)C=C2C=CN(C)C2C1C1=CC2OCOC2C=C1 Intermediate Fragment 176 206.0811697 C=C([OH2+])OC1=C(O)C=C2C=CN(C)C2=C1 177 330.1335992 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(O)C(OC)C=C4C1C23 Intermediate Fragment 178 314.102299 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(O)=C(O)C=C4C1C23 179 298.1073844 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(O)=CC=C4C1C23 180 300.1230345 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(O)CC=C4C1C23 181 328.1179491 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(O)=C(OC)C=C4C1C23 182 330.1335992 C=C([OH2+])OC1C(O)C=C2C=CN3CC4=CCC(OC=O)C=C4C1C23 Intermediate Fragment 183 312.1230345 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC=C(OC)C=C4C1C23 184 302.1386845 C=C([OH2+])OC1C(O)C=C2C=CN3CC4=CCC(O)C=C4C1C23 185 300.1230345 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CCC(O)C=C4C1C23 186 258.1124698 OC1=C([OH2+])C=C2C=CN3CC4=CCC(O)C=C4C1C23 187 238.086255 OC1=CC=C2CN3C=CC4=CC([OH2+])=CC(=C43)C2=C1 188 240.1019051 OC1=CC=C2CN3C=CC4=CC([OH2+])=CC(C2=C1)C43 189 300.1230345 C=C=C1C=C(O)C(OC(=C)[OH2+])C2C3=CC(O)CC=C3C=NC12 Intermediate Fragment 190 300.1230345 C=C([OH2+])OCC(O)=C=C1C=CN2CC3=CC=C(O)C=C3CC12 Intermediate Fragment 191 200.1069905 C=C1C=CN2C=C3C=CC([OH2+])C=C3CC12 192 300.1230345 C=C([OH2+])OC1=C(O)C=C2C=CN(C)C2C1C1=CC(O)=CC=C1 Intermediate Fragment 193 298.1073844 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC=C(O)C=C4C1C23 194 282.1124698 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC=CC=C4C1C23 195 282.1124698 C=C([OH2+])OCC(O)=C=C1C=CN2CC3=CC=CC=C3C=C12 Intermediate Fragment 196 284.1281199 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CCCC=C4C1C23 197 284.1281199 C=C([OH2+])OCC(O)=C=C1C=CN2CC3=CC=CC=C3CC12 Intermediate Fragment 198 286.1437699 C=C([OH2+])OC1C(O)C=C2C=CN3CC4=CCCC=C4C1C23 199 328.1179491 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CCC(OC=O)C=C4C1C23 200 330.1335992 C=C([OH2+])OC1C(O)C=C2C=CN3CC4=CC(OC=O)CC=C4C1C23 Intermediate Fragment 201 302.1386845 C=C([OH2+])OC1C(O)C=C2C=CN3CC4=CC(O)CC=C4C1C23 202 302.1386845 C=C([OH2+])OCC(O)=C=C1C=CN2CC3=CC(O)CC=C3CC12 Intermediate Fragment 203 312.1230345 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(OC)=CC=C4C1C23 204 328.1179491 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(OC=O)CC=C4C1C23 205 330.1335992 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(OC)C(O)C=C4C1C23 Intermediate Fragment 206 328.1179491 C=C([OH2+])OC1=C(O)C=C2C=CN3CC4=CC(OC)=C(O)C=C4C1C23