MassBank Record: JP002764



 PIPAMAZINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002764
RECORD_TITLE: PIPAMAZINE; 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$NAME: PIPAMAZINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H24ClN3OS CH$EXACT_MASS: 401.13286 CH$SMILES: NC(=O)C(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)
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: splash10-0006-9730000000-ef91869f9b60f42596b9 PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 39 11.9 119 41 48.9 489 42 57.9 579 43 2.39 24 44 14.9 149 55 32.9 329 56 15.9 159 57 1.79 18 67 9.9 99 69 19.9 199 70 19.9 199 71 1.29 13 80 4.9 49 81 5.9 59 82 13.9 139 83 1.09 11 84 7.9 79 95 5.9 59 96 29.9 299 97 1.19 12 98 20.9 209 109 5.9 59 112 7.9 79 123 0.94 9 124 18.9 189 127 5.9 59 135 5.9 59 141 99.99 999 142 8.9 89 150 4.9 49 151 35.9 359 152 0.69 7 153 5.9 59 155 8.9 89 167 3.9 39 168 0.39 4 169 32.9 329 170 2.9 29 178 2.9 29 179 0.29 3 188 2.9 29 196 5.9 59 197 5.9 59 198 0.59 6 210 0.9 9 211 3.9 39 212 3.9 39 213 0.29 3 214 12.9 129 215 2.9 29 218 1.9 19 219 0.19 2 223 1.9 19 224 1.9 19 225 2.9 29 232 1.59 16 233 18.9 189 234 8.9 89 238 2.9 29 239 0.19 2 246 5.9 59 247 5.9 59 258 1.9 19 259 0.29 3 260 1.9 19 272 17.9 179 273 9.9 99 349 0.09 1 366 0.9 9 367 0.9 9 383 10.9 109 401 2.9 29 //