ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005067
RECORD_TITLE: 2-(2-HYDROXYPHENYL)-4-PIPERIDINO-6-TRIFLUOROMETHYLPYRIMIDINE; 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$NAME: 2-(2-HYDROXYPHENYL)-4-PIPERIDINO-6-TRIFLUOROMETHYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H16F3N3O
CH$EXACT_MASS: 323.12455
CH$SMILES: C(C3)CCN(C3)c(c2)nc(nc2C(F)(F)F)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C16H16F3N3O/c17-16(18,19)13-10-14(22-8-4-1-5-9-22)21-15(20-13)11-6-2-3-7-12(11)23/h2-3,6-7,10,23H,1,4-5,8-9H2
CH$LINK: INCHIKEY VWGOMZPDBSWHRL-UHFFFAOYSA-N
AC$INSTRUMENT: MS-902
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-2159000000-93e3a9b6881de282541c
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  50 2.3 23
  52 2 20
  53 2.1 21
  54 0.13 1
  55 2.9 29
  56 1 10
  63 1.4 14
  65 0.13 1
  67 1.4 14
  68 1.1 11
  69 2.2 22
  71 0.14 1
  75 1.5 15
  79 3.2 32
  81 1.1 11
  82 0.24 2
  84 14.1 141
  85 1.3 13
  102 1.1 11
  106 0.11 1
  109.5 1.1 11
  117 1.1 11
  118 2.9 29
  119 0.86 9
  120 7.3 73
  141 1.8 18
  147.5 1.4 14
  149 0.3 3
  161 1.8 18
  161.5 1.5 15
  171 1.1 11
  186 0.14 1
  211 1.6 16
  212 3.5 35
  213 1.1 11
  239 0.49 5
  240 8.3 83
  241 1.7 17
  255 1.1 11
  267 0.53 5
  268 10.5 105
  269 4.6 46
  280 4 40
  281 0.31 3
  282 2.7 27
  294 24.8 248
  295 4.9 49
  296 0.11 1
  304 2.1 21
  306 1.1 11
  308 2.8 28
  309 0.11 1
  321 1.4 14
  322 12.4 124
  323 99.99 999
  324 1.71 17
  325 2.7 27
//
