MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001419
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
//
system version 2.2.8-SNAPSHOT