MassBank Record: JP002761



 FLUPHENAZINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //