MassBank Record: JP003111



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

ACCESSION: JP003111
RECORD_TITLE: TRIFLUOPERAZINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: TRIFLUOPERAZINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H24F3N3S CH$EXACT_MASS: 407.16430 CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928
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: splash10-03kc-9730000000-49438d7f5a4236b51602 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 41 14.9 149 42 38.9 389 43 56.9 569 44 1.89 19 55 8.9 89 56 15.9 159 57 14.9 149 58 1.29 13 69 5.9 59 70 82 820 71 23.9 239 83 0.59 6 84 6.9 69 85 12.9 129 96 4.9 49 97 1.19 12 98 20.9 209 99 17.9 179 111 24.9 249 112 0.49 5 113 99.99 999 114 26.9 269 127 45.9 459 139 0.59 6 141 44.9 449 152 3.9 39 153 3.9 39 157 0.29 3 184 4.9 49 196 8.9 89 197 5.9 59 202 0.39 4 222 4.9 49 234 3.9 39 247 4.9 49 248 4.49 45 249 5.9 59 260 1.9 19 266 42.9 429 267 1.29 13 280 17.9 179 281 17.9 179 291 3.9 39 292 0.39 4 293 9.9 99 294 5.9 59 306 4.9 49 307 0.49 5 336 0.9 9 350 0.9 9 362 0.9 9 407 17.9 179 //

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