MassBank Record: JP002817



 6,7-DIMETHOXY-1-(3.4-DIMETHOXYBENZYL)-ISOQUINOLINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002817
RECORD_TITLE: 6,7-DIMETHOXY-1-(3.4-DIMETHOXYBENZYL)-ISOQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 6,7-DIMETHOXY-1-(3.4-DIMETHOXYBENZYL)-ISOQUINOLINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H21NO4 CH$EXACT_MASS: 339.14706 CH$SMILES: COc(c3)c(OC)cc(c3)Cc(n2)c(c1)c(cc2)cc(OC)c(OC)1 CH$IUPAC: InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0079-4569000000-42d74df972bf1280fb29 PK$NUM_PEAK: 270 PK$PEAK: m/z int. rel.int. 29 5 50 30 3 30 31 3.4 34 32 0.6 6 35 1 10 36 6 60 37 1 10 38 0.24 2 39 8.8 88 40 2 20 41 10.2 102 42 0.36 4 43 8.4 84 44 6.2 62 45 3 30 46 0.01 0 50 4.6 46 51 8.4 84 52 3 30 53 0.32 3 54 2 20 55 7.9 79 56 3.6 36 57 0.99 10 58 1.6 16 60 2 20 61 1.6 16 62 0.24 2 63 6.2 62 64 3.2 32 65 6 60 66 0.02 0 67 4.2 42 68 2.2 22 69 5.2 52 70 0.03 0 71 5.2 52 72 1 10 73 1.6 16 74 0.02 0 75 5 50 76 7 70 77 10 100 78 0.06 1 79 5.6 56 80 2.5 25 81 3 30 82 0.39 4 83 3 30 84 2 20 85 4 40 86 0.16 2 87 2 20 88 2.5 25 89 8.6 86 90 0.54 5 91 5.4 54 92 2.6 26 93 2.4 24 94 0.02 0 95 3.4 34 96 4.4 44 97 2.4 24 98 0.16 2 99 1.6 16 100 2 20 101 3 30 102 0.76 8 103 3 30 104 3.5 35 105 5 50 106 0.04 0 107 6.5 65 108 3 30 109 2 20 110 0.36 4 111 3.4 34 112 1.4 14 113 2 20 114 0.26 3 115 3.4 34 116 3 30 117 4.4 44 118 0.04 0 119 4.2 42 120 1.6 16 121 2.4 24 122 0.19 2 123 2 20 124 2 20 125 5.3 53 126 0.03 0 127 4 40 128 2.5 25 129 2 20 130 0.03 0 131 2.7 27 132 3.6 36 133 3.4 34 134 0.13 1 135 2.6 26 136 1.7 17 137 1.8 18 138 0.16 2 139 5.9 59 140 4.4 44 141 4.2 42 142 0.14 1 143 1.9 19 144 2.4 24 145 2 20 146 0.34 3 147 3.9 39 148 2 20 149 2.8 28 150 0.26 3 151 7.2 72 152 4.2 42 153 2.6 26 154 0.15 2 155 1.7 17 156 1.8 18 157 2.1 21 158 0.22 2 159 1.7 17 160 1.4 14 161 2.6 26 162 0.03 0 163 2.4 24 164 3.9 39 165 5.6 56 166 0.54 5 167 1.7 17 168 1.9 19 169 5.2 52 170 0.24 2 171 2 20 172 1.9 19 173 1 10 174 0.01 0 175 1.4 14 176 2.4 24 177 2.2 22 178 0.74 7 179 5 50 180 4.9 49 181 2.4 24 182 0.21 2 183 2.2 22 184 2 20 185 1.2 12 186 0.12 1 187 1 10 188 2 20 189 2.4 24 190 0.36 4 191 7.1 71 192 5 50 193 2.2 22 194 0.52 5 195 5.1 51 196 2.6 26 197 0.6 6 198 0.01 0 202 6.2 62 203 3.6 36 204 4.5 45 205 0.04 0 206 3.7 37 207 6.2 62 208 6 60 209 0.46 5 210 7 70 211 2.4 24 212 1.9 19 213 0.04 0 214 0.2 2 215 1 10 216 1.7 17 217 0.19 2 218 2.6 26 219 4 40 220 18 180 221 0.07 1 222 5.2 52 223 4 40 224 2.2 22 225 0.01 0 226 1 10 227 2 20 228 1 10 229 0.01 0 230 1 10 231 1.7 17 232 2.4 24 233 0.34 3 234 5 50 235 4.9 49 236 6 60 237 0.04 0 238 6 60 239 1.8 18 240 1.1 11 245 0.01 0 246 2 20 247 2.6 26 248 5.2 52 249 0.54 5 250 9 90 251 3.2 32 252 4 40 253 0.62 6 254 1.9 19 255 0.2 2 259 0.4 4 260 0.12 1 261 2 20 262 4.6 46 263 6 60 264 1.01 10 265 8 80 266 10.5 105 267 2.4 24 268 0.12 1 273 0.2 2 274 1.2 12 275 1.4 14 276 0.03 0 277 4.7 47 278 7.6 76 279 4.2 42 280 1.14 11 281 8.9 89 282 2.2 22 283 0.4 4 289 0.04 0 290 1.2 12 291 2.7 27 292 14.2 142 293 0.22 2 294 13.6 136 295 4 40 296 9.4 94 297 0.29 3 298 1 10 303 0.2 2 304 1 10 305 0.19 2 306 3.2 32 307 8.4 84 308 27.6 276 309 1.26 13 310 3.4 34 311 1 10 312 0.4 4 320 0.02 0 321 0.5 5 322 14 140 323 9.2 92 324 99.99 999 325 22 220 326 3.4 34 327 1 10 337 0.01 0 338 93.6 936 339 75 750 340 16 160 341 0.29 3 342 1 10 343 0.4 4 //