MassBank Record: JP002778



 2-CHLORO-10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002778
RECORD_TITLE: 2-CHLORO-10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZINE; 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$NAME: 2-CHLORO-10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H24ClN3S CH$EXACT_MASS: 373.13795 CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
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: splash10-01vo-9853000000-ba88fedd94e150c34e1a PK$NUM_PEAK: 262 PK$PEAK: m/z int. rel.int. 35 2.3 23 36 2.9 29 37 1.1 11 38 0.1 1 39 1.7 17 40 0.5 5 41 9.1 91 42 4.41 44 43 44.3 443 44 20.9 209 45 2 20 47 0.69 7 48 3 30 49 2.2 22 50 1.2 12 51 0.12 1 52 0.1 1 53 0.2 2 54 2.6 26 55 0.39 4 56 15.6 156 57 9.5 95 58 16.1 161 59 0.13 1 62 0.1 1 63 1.2 12 64 0.1 1 65 0.01 0 67 0.9 9 68 2.1 21 69 2.6 26 70 8.97 90 71 20.3 203 72 5.2 52 73 0.5 5 74 0.02 0 75 1.2 12 76 0.4 4 77 1.8 18 78 0.03 0 79 0.1 1 80 0.3 3 81 0.5 5 82 0.31 3 83 18.3 183 84 8.8 88 85 13 130 86 0.15 2 87 2.1 21 89 0.7 7 90 0.1 1 91 0.02 0 92 0.1 1 93 0.2 2 94 0.2 2 95 0.11 1 96 3.9 39 97 5.9 59 98 9.9 99 99 0.69 7 100 1.3 13 101 0.8 8 102 0.1 1 103 0.03 0 104 0.2 2 105 0.2 2 106 0.1 1 107 0.02 0 108 1.2 12 109 1.1 11 110 0.2 2 111 0.93 9 112 2 20 113 99.99 999 114 11.9 119 115 0.12 1 116 0.3 3 117 0.5 5 118 0.3 3 119 0.03 0 120 0.6 6 121 0.3 3 122 0.4 4 123 0.06 1 124 0.6 6 125 1.9 19 126 1.3 13 127 1.86 19 128 1.9 19 129 0.1 1 130 0.6 6 131 0.01 0 132 0.2 2 133 0.2 2 134 0.4 4 135 0.02 0 136 0.4 4 137 0.5 5 138 0.9 9 139 0.57 6 140 2.8 28 141 48.6 486 142 4.7 47 143 0.01 0 144 0.1 1 145 0.3 3 146 0.4 4 147 0.01 0 149 0.9 9 150 0.3 3 151 1.5 15 152 0.23 2 153 2.1 21 154 1.1 11 155 0.1 1 161 0.01 0 162 0.3 3 163 0.2 2 164 1.3 13 165 0.09 1 166 1.3 13 167 1.6 16 168 0.4 4 169 0.08 1 170 1 10 171 1.1 11 172 0.3 3 173 0.03 0 174 0.3 3 175 0.1 1 177 1.5 15 178 0.02 0 179 2.1 21 180 1.2 12 181 1.1 11 182 0.11 1 183 1.1 11 184 1.4 14 185 0.5 5 186 0.06 1 187 0.4 4 188 1.9 19 190 0.5 5 191 0.08 1 192 0.2 2 193 0.1 1 194 0.1 1 195 0.02 0 196 3.1 31 197 4.3 43 198 3.9 39 199 0.14 1 200 1.5 15 201 1.4 14 202 0.3 3 203 0.04 0 204 0.9 9 205 1 10 206 0.6 6 207 0.04 0 208 0.1 1 209 0.9 9 210 2.1 21 211 0.33 3 212 6.8 68 213 3.4 34 214 11.3 113 215 0.27 3 216 4.1 41 217 0.9 9 218 0.8 8 219 0.01 0 222 0.4 4 223 1.9 19 224 1.1 11 225 0.13 1 226 0.9 9 227 0.4 4 228 0.4 4 229 0.02 0 230 0.1 1 231 0.6 6 232 13.3 133 233 0.91 9 234 6.4 64 235 3.7 37 236 1.4 14 237 0.11 1 238 2 20 239 1.8 18 240 1.1 11 241 0.02 0 242 0.3 3 243 0.1 1 244 1 10 245 0.08 1 246 10.1 101 247 7.8 78 248 4.8 48 249 0.03 0 250 0.6 6 251 0.1 1 257 0.5 5 258 0.19 2 259 4.1 41 260 6.3 63 261 2.7 27 262 0.21 2 263 0.4 4 264 0.1 1 268 0.4 4 270 0.04 0 271 0.4 4 272 13.3 133 273 10.1 101 274 0.64 6 275 3.9 39 276 1.1 11 277 0.1 1 286 0.03 0 287 0.3 3 288 0.2 2 289 0.1 1 299 0.03 0 301 0.4 4 302 1.2 12 303 0.9 9 304 0.06 1 305 0.4 4 314 0.4 4 315 0.4 4 316 0.42 4 317 1.2 12 318 1.6 16 319 0.3 3 320 0.01 0 327 2.7 27 328 1.2 12 329 1.4 14 330 0.03 0 331 0.1 1 337 0.5 5 338 2.7 27 339 0.21 2 340 0.4 4 341 0.1 1 343 0.2 2 344 0.02 0 345 0.1 1 358 0.6 6 359 0.1 1 360 0.04 0 371 1.3 13 372 0.4 4 373 58.5 585 374 0.15 2 375 20.8 208 376 4.9 49 377 1.5 15 378 0.02 0 189 0.4 4 220 0.1 1 //