ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005768
RECORD_TITLE: PERICYAZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: PERICYAZINE
CH$NAME: 10-(3-(4-HYDROXY-1-PIPERIDINYL)PROPYL)PHENOTHIAZINE
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$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-4931000000-bc6eaf361b17af48a30f
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  51 2.07 21
  52 1.68 17
  53 1.28 13
  54 3.01 30
  55 2.19 22
  56 6.26 63
  57 4.67 47
  58 26.36 264
  68 1.3 13
  69 3.43 34
  70 5.33 53
  71 1.74 17
  82 3.9 39
  83 1.03 10
  84 1.72 17
  96 8.29 83
  97 1.47 15
  98 2.44 24
  100 2.8 28
  110 1.14 11
  112 4.4 44
  113 1.13 11
  114 99.99 999
  115 7.24 72
  124 1.28 13
  126 1.47 15
  128 6.82 68
  140 1.41 14
  141 2.42 24
  142 23.79 238
  179 3.02 30
  191 2.22 22
  192 8.04 80
  205 8.07 81
  223 11.75 118
  224 2.15 22
  225 2.74 27
  237 4.22 42
  238 1.02 10
  249 6.19 62
  250 6.28 63
  251 1.13 11
  263 8.71 87
  264 6.05 61
  365 19.92 199
  366 4.07 41
//