ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010737
RECORD_TITLE: FLUTOLUANIL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: FLUTOLUANIL
CH$NAME: ALPHA-ALPHA-ALPHA-TRIFLURO-3'-ISOPROPOXY-ORTHO-TOLUANILIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆F₃NO₂
CH$EXACT_MASS: 323.11331
CH$SMILES: CC(C)Oc(c2)cc(cc2)NC(=O)c(c1)c(ccc1)C(F)(F)F
CH$IUPAC: InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
CH$LINK: INCHIKEY PTCGDEVVHUXTMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024109

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-3922000000-2137259e3dc8d73ed695
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  29 3.57 36
  41 1.22 12
  42 1.96 20
  43 18.68 187
  44 1.32 13
  45 3.8 38
  57 1.18 12
  61 3.78 38
  70 1.76 18
  173 99.99 999
  174 9.4 94
  281 31.16 312
  282 4.84 48
  323 22.16 222
  324 4.21 42
//