ACCESSION: MSBNK-Waters-WA000071
RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:40 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 40 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$SPLASH: splash10-0udi-0390000000-27c0d501493e954b6137
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  126 12 12
  138 20 20
  145 8 8
  153 35 35
  156 8 8
  176 16 16
  181 161 161
  183 302 302
  185 39 39
  188 8 8
  201 110 110
  203 999 999
  204 20 20
  208 8 8
  221 376 376
  223 59 59
  241 110 110
//