MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010416
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
//
system version 2.2.8-SNAPSHOT