ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002761
RECORD_TITLE: FLUPHENAZINE; 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$NAME: FLUPHENAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₆F₃N₃OS
CH$EXACT_MASS: 437.17487
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
CH$LINK: INCHIKEY PLDUPXSUYLZYBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2023068

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$SPLASH: splash10-0bu4-9430100000-8ccf208ff236ff33462c
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  39 9.9 99
  41 47.9 479
  42 99 990
  43 7.69 77
  44 54.9 549
  45 28.9 289
  55 40.9 409
  56 9.59 96
  57 50.9 509
  58 58.9 589
  69 22.9 229
  70 9.69 97
  71 38.9 389
  72 80.9 809
  73 18.9 189
  74 2.59 26
  77 8.9 89
  82 15.9 159
  83 16.9 169
  84 3.49 35
  85 11.9 119
  86 8.9 89
  88 8.9 89
  96 1.89 19
  97 34.9 349
  98 70.9 709
  99 29.9 299
  100 7.99 80
  111 32.9 329
  112 8.9 89
  113 85.9 859
  114 0.99 10
  115 7.9 79
  125 41.9 419
  126 10.9 109
  127 1.09 11
  128 8.9 89
  139 25.9 259
  141 25.9 259
  143 9.69 97
  153 22.9 229
  157 53.9 539
  171 32.9 329
  196 0.49 5
  197 4.9 49
  198 3.9 39
  203 11.9 119
  247 0.69 7
  248 66.9 669
  249 8.9 89
  260 3.9 39
  266 5.59 56
  267 22.9 229
  280 99.99 999
  281 48.9 489
  282 1.59 16
  293 7.9 79
  294 7.9 79
  306 15.9 159
  307 1.49 15
  308 2.9 29
  336 1.9 19
  350 3.9 39
  363 0.19 2
  364 0.9 9
  378 2.9 29
  391 1.9 19
  393 0.09 1
  406 37.9 379
  407 19.9 199
  419 8.9 89
  437 41.9 419
//