ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002762
RECORD_TITLE: PERICYAZINE; 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$NAME: PERICYAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₃N₃OS
CH$EXACT_MASS: 365.15618
CH$SMILES: N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
CH$LINK: INCHIKEY LUALIOATIOESLM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5045910

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$SPLASH: splash10-03xu-7932000000-163720fa7ee8e5adf313
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  41 22.9 229
  42 46.9 469
  43 25.9 259
  44 9.1 91
  53 6.9 69
  55 13.9 139
  56 22.9 229
  57 1.49 15
  58 4.9 49
  69 7.9 79
  70 20.9 209
  71 0.79 8
  72 5.9 59
  77 6.9 69
  82 4.9 49
  83 0.49 5
  84 5.9 59
  96 10.9 109
  97 5.9 59
  98 0.69 7
  100 23.9 239
  105 10.9 109
  112 11.9 119
  113 1.09 11
  114 99.99 999
  115 42.9 429
  126 7.9 79
  127 0.39 4
  128 34.9 349
  140 6.9 69
  141 13.9 139
  142 8.6 86
  143 6.9 69
  205 18.9 189
  223 22.9 229
  224 1.09 11
  237 14.9 149
  238 8.9 89
  248 1.9 19
  249 0.29 3
  250 2.9 29
  251 1.9 19
  263 35.9 359
  264 2.39 24
  293 0.9 9
  347 0.9 9
  365 78.9 789
  366 0.14 1
  367 3 30
//