ACCESSION: MSBNK-Waters-WA000072
RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Cyflufenamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₇F₅N₂O₂
CH$EXACT_MASS: 412.12102
CH$SMILES: c(c3)ccc(c3)CC(=O)NC(=NOCC(C2)C2)c(c(F)1)c(ccc(F)1)C(F)(F)F
CH$IUPAC: InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
CH$LINK: CAS 180409-60-3
CH$LINK: INCHIKEY ACMXQHFNODYQAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30431727

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 413.24
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0ue9-0960000000-a3f6d8be661a49928042
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  105 8 8
  112 8 8
  126 121 121
  131 51 51
  132 12 12
  138 239 239
  145 8 8
  148 8 8
  153 118 118
  156 67 67
  158 24 24
  161 12 12
  162 59 59
  164 12 12
  166 20 20
  176 161 161
  181 125 125
  183 592 592
  185 63 63
  188 31 31
  201 47 47
  203 999 999
  204 51 51
  208 8 8
  221 102 102
  241 12 12
//