MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010737
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
//