ACCESSION: MSBNK-Waters-WA000185
RECORD_TITLE: Acifluorfen; LC-ESI-QQ; MS2; CE:20 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$NAME: Acifluorfen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₇ClF₃NO₅
CH$EXACT_MASS: 360.99648
CH$SMILES: O=N(=O)c(c2)c(C(O)=O)cc(c2)Oc(c1)c(Cl)cc(c1)C(F)(F)F
CH$IUPAC: InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
CH$LINK: CAS 50594-66-6
CH$LINK: INCHIKEY NUFNQYOELLVIPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020022

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 360
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-007a-0591000000-8ed2598dec7f342fea9e
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  112 8 8
  119 8 8
  123 16 16
  130 8 8
  134 8 8
  136 196 196
  138 24 24
  169 8 8
  175 12 12
  179 12 12
  189 16 16
  195 999 999
  206 12 12
  210 12 12
  215 8 8
  222 811 811
  231 31 31
  232 8 8
  235 31 31
  241 20 20
  243 8 8
  250 39 39
  255 27 27
  258 47 47
  271 12 12
  277 8 8
  280 12 12
  285 114 114
  286 780 780
  287 67 67
  315 12 12
  316 345 345
  318 8 8
  334 8 8
  363 8 8
  369 8 8
//