ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002763
RECORD_TITLE: PERPHENAZINE; 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$NAME: PERPHENAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₆ClN₃OS
CH$EXACT_MASS: 403.14851
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
CH$LINK: INCHIKEY RGCVKNLCSQQDEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023441

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$SPLASH: splash10-0006-9450000000-c13808005c7ad3a43067
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  41 15.9 159
  42 99.99 999
  43 20.9 209
  44 1.39 14
  45 10.9 109
  54 4.9 49
  55 14.9 149
  56 3.69 37
  57 14.9 149
  58 14.9 149
  69 5.9 59
  70 4.99 50
  71 7.9 79
  73 4.9 49
  74 4.9 49
  82 0.59 6
  83 4.9 49
  84 9.9 99
  96 4.9 49
  97 0.99 10
  98 17.9 179
  99 6.9 69
  100 20.9 209
  111 0.99 10
  113 17.9 179
  125 7.9 79
  139 6.9 69
  141 0.59 6
  143 36.9 369
  153 7.9 79
  157 11.9 119
  171 1.69 17
  188 5.9 59
  196 10.9 109
  197 10.9 109
  198 0.59 6
  200 3.9 39
  210 4.9 49
  211 5.9 59
  212 0.39 4
  213 4.9 49
  214 28.9 289
  215 5.9 59
  232 5.99 60
  233 12.9 129
  246 66.9 669
  247 8.9 89
  259 0.39 4
  260 2.9 29
  272 3.9 39
  273 3.9 39
  372 0.49 5
  385 1.9 19
  403 9.9 99
//