ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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)
CH$LINK: INCHIKEY OSJJYEUEJRVVOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023477

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
//