ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010416
RECORD_TITLE: N-BUTYL-N-ETHYL-2,6-DINITRO-4-(TRIFLUOROMETHYL)BENZENAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: N-BUTYL-N-ETHYL-2,6-DINITRO-4-(TRIFLUOROMETHYL)BENZENAMINE
CH$NAME: BENFLURALIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆F₃N₃O₄
CH$EXACT_MASS: 335.10929
CH$SMILES: CCCCN(CC)c(c([N+1]([O-1])=O)1)c([N+1]([O-1])=O)cc(c1)C(F)(F)F
CH$IUPAC: InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY SMDHCQAYESWHAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023899

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0006-0291000000-590f003a75b7fddffc7b
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  36 1.53 15
  41 3.44 34
  43 2.44 24
  55 1.17 12
  57 3.03 30
  105 2.67 27
  126 1.23 12
  133 1.16 12
  140 1.65 17
  143 1.42 14
  144 1.01 10
  145 4.13 41
  146 1.4 14
  147 1.21 12
  152 1.04 10
  153 2.08 21
  158 1.41 14
  159 3.13 31
  160 4.41 44
  161 1.03 10
  166 1.19 12
  171 1.18 12
  172 2.52 25
  173 1.52 15
  174 1.93 19
  185 1.31 13
  186 3.34 33
  187 3.05 31
  188 2.16 22
  189 1.53 15
  198 1.42 14
  199 1.7 17
  200 2.7 27
  201 2.76 28
  202 3.14 31
  206 4.07 41
  213 1.54 15
  214 1.8 18
  215 2.26 23
  218 2.55 26
  227 1.01 10
  228 2.52 25
  229 1.78 18
  230 1.37 14
  232 3.45 35
  234 1.19 12
  240 1.39 14
  241 1.08 11
  242 2.01 20
  243 1.03 10
  246 1.19 12
  248 2.97 30
  260 2.36 24
  262 1.82 18
  264 22.13 221
  265 2.39 24
  271 2.53 25
  273 1.2 12
  276 12.13 121
  277 1.53 15
  278 1.42 14
  288 1.09 11
  292 99.99 999
  293 12.74 127
  294 1.95 20
  316 3.93 39
  318 7.96 80
  319 1.43 14
  320 1.64 16
  335 7.43 74
  336 1.71 17
//