ACCESSION: MSBNK-Waters-WA000042
RECORD_TITLE: Quizalofop-p-tefuryl; 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$NAME: Quizalofop-p-tefuryl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₁ClN₂O₅
CH$EXACT_MASS: 428.11390
CH$SMILES: O=C(OCC(C4)OCC4)C(C)Oc(c3)ccc(c3)Oc(c1)nc(c2)c(cc(Cl)c2)n1
CH$IUPAC: InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3
CH$LINK: CAS 119738-06-6
CH$LINK: INCHIKEY BBKDWPHJZANJGB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3058290

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 20 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 429.1
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-002r-9030700000-052a2e236a3fedff1805
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  57 27 27
  67 74 74
  85 999 999
  86 8 8
  129 98 98
  299 404 404
  300 8 8
  327 8 8
  345 24 24
  429 901 901
  430 51 51
//