ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001419
RECORD_TITLE: TRIFLURALIN; 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$NAME: TRIFLURALIN
CH$NAME: 2,6-DINITRO-N,N-DIPROPYL-4-(TRIFLUOROMETHYL)BENZENAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆F₃N₃O₄
CH$EXACT_MASS: 335.10929
CH$SMILES: CCCN(CCC)c(c([N+1]([O-1])=O)1)c([N+1]([O-1])=O)cc(c1)C(F)(F)F
CH$IUPAC: InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY ZSDSQXJSNMTJDA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021395

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$SPLASH: splash10-0bt9-1069000000-52c91fd96b04cd0881a2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43 23.3 233
  57 2.4 24
  160 1.3 13
  202 0.14 1
  206 3.2 32
  232 1.4 14
  248 9.2 92
  260 0.16 2
  264 61 610
  265 6.1 61
  290 13.1 131
  291 0.18 2
  306 99.99 999
  307 13.4 134
  308 1.6 16
  316 0.15 2
  318 6.5 65
  335 13 130
  336 2.1 21
//