MassBank Record: JP002774



 DIPHENOXYLATE; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002774
RECORD_TITLE: DIPHENOXYLATE; 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$NAME: DIPHENOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H32N2O2 CH$EXACT_MASS: 452.24638 CH$SMILES: C(C(c(c4)cccc4)(c(c3)cccc3)CCN(C1)CCC(C(OCC)=O)(c(c2)cccc2)C1)#N CH$IUPAC: InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
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: splash10-0002-6591000000-e04da61bbde263b104e3 PK$NUM_PEAK: 203 PK$PEAK: m/z int. rel.int. 26 0.9 9 27 2.1 21 28 5.7 57 29 0.23 2 30 1.2 12 31 1.2 12 32 1.1 11 35 0.18 2 36 3 30 37 0.8 8 38 1.3 13 39 0.11 1 41 2.8 28 42 18.2 182 43 2.1 21 44 0.22 2 45 0.4 4 47 5.9 59 48 3 30 49 0.21 2 50 1.2 12 51 1.4 14 52 0.8 8 53 0.12 1 54 1.9 19 55 2.3 23 56 4.7 47 57 0.21 2 58 0.4 4 59 2.3 23 60 0.3 3 62 0.01 0 63 0.8 8 64 0.2 2 65 0.9 9 66 0.01 0 67 1.1 11 68 1.3 13 69 1.9 19 70 0.15 2 71 1 10 74 0.1 1 75 0.3 3 76 0.05 1 77 2.4 24 78 1.1 11 79 0.9 9 80 0.01 0 81 0.3 3 82 2.8 28 83 3.2 32 84 0.14 1 85 0.2 2 86 0.1 1 87 2.5 25 89 0.04 0 90 0.3 3 91 9.1 91 92 1.3 13 93 0.01 0 94 0.4 4 95 0.3 3 96 1.8 18 97 0.03 0 98 0.1 1 99 0.4 4 100 0.1 1 101 0.03 0 102 0.9 9 103 4.4 44 104 1.8 18 105 0.13 1 106 0.1 1 107 0.3 3 108 0.8 8 109 0.01 0 110 0.3 3 111 1.2 12 112 1.3 13 113 0.02 0 114 0.1 1 115 4.9 49 116 2.3 23 117 0.19 2 118 0.9 9 119 0.7 7 120 0.4 4 121 0.01 0 126 0.1 1 127 1.7 17 128 2.1 21 129 0.35 4 130 1.8 18 131 3 30 132 0.6 6 133 0.03 0 139 0.2 2 140 0.4 4 141 1.2 12 142 0.08 1 143 2.2 22 144 1.1 11 145 1.2 12 146 0.05 1 147 0.9 9 149 0.1 1 151 0.1 1 152 0.08 1 153 0.4 4 154 0.8 8 155 1.5 15 156 0.48 5 157 2.1 21 158 4.9 49 159 1.4 14 160 0.04 0 162 0.1 1 163 0.3 3 164 0.8 8 165 0.51 5 166 1.4 14 167 0.8 8 168 0.4 4 169 0.03 0 170 0.8 8 171 1.8 18 172 6 60 173 0.21 2 174 1.9 19 175 0.3 3 176 0.4 4 177 0.09 1 178 1.4 14 179 1.2 12 180 1.1 11 181 0.03 0 182 0.3 3 183 0.3 3 184 4.9 49 185 0.17 2 186 1.7 17 187 1.8 18 188 0.7 7 189 0.05 1 190 2.9 29 191 1.8 18 192 2.3 23 193 0.29 3 194 0.9 9 196 0.8 8 200 0.3 3 202 0.05 1 203 0.3 3 204 0.5 5 205 0.3 3 216 0.03 0 217 0.2 2 218 4.3 43 219 1.4 14 220 0.04 0 230 0.1 1 231 0.1 1 232 1.8 18 233 0.05 1 234 0.1 1 243 0.1 1 244 0.8 8 245 0.11 1 246 99.99 999 247 16.7 167 248 2.1 21 249 0.15 2 250 0.3 3 251 0.1 1 258 1.2 12 259 0.18 2 260 1.4 14 261 0.3 3 274 0.3 3 275 0.11 1 276 0.5 5 301 0.4 4 349 0.2 2 350 0.07 1 351 0.4 4 352 0.1 1 374 0.3 3 375 0.04 0 377 11.7 117 378 3.8 38 379 2.2 22 380 0.09 1 407 0.9 9 408 0.4 4 422 0.8 8 423 0.04 0 424 0.3 3 450 0.3 3 451 1.4 14 452 0.38 4 453 1.4 14 454 0.3 3 455 0.1 1 //