ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005782
RECORD_TITLE: PERAZINE; CI-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$NAME: PERAZINE
CH$NAME: 10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₅N₃S
CH$EXACT_MASS: 339.17692
CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
CH$LINK: INCHIKEY WEYVCQFUGFRXOM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6048628

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0002-9310000000-ec3169ce94eacf892f47
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  57 4.09 41
  58 4.57 46
  63 1.11 11
  67 1.57 16
  69 2.57 26
  70 1.35 14
  71 3.79 38
  72 3.44 34
  73 2.81 28
  79 2.87 29
  81 1.11 11
  82 1.65 17
  83 2.54 25
  84 2.38 24
  85 3.73 37
  86 2.73 27
  87 3.11 31
  88 1.27 13
  91 1.51 15
  93 1.19 12
  94 1.76 18
  95 1.84 18
  97 2.51 25
  98 1.81 18
  99 99.99 999
  100 5.77 58
  101 12.16 122
  102 1.4 14
  107 1.21 12
  108 1.27 13
  109 1.76 18
  111 2.51 25
  112 1.27 13
  113 3.08 31
  114 1.54 15
  115 3.08 31
  121 1.32 13
  122 1.35 14
  125 1.76 18
  126 1.35 14
  127 2.14 21
  128 1.21 12
  129 1.43 14
  139 1.81 18
  140 1.3 13
  141 1.89 19
  143 1.16 12
  153 1.24 12
  155 1.05 11
  169 1.08 11
  170 1.19 12
  199 4.79 48
  200 9.21 92
  201 1.89 19
  202 1.13 11
  214 1.46 15
  224 1.59 16
  225 6.04 60
  226 3 30
  227 1.43 14
  228 1.97 20
  239 1.3 13
  240 1.84 18
  242 1.11 11
  253 1.16 12
  340 1.7 17
//