MassBank Record: MSBNK-Waters-WA000140

Butafenacil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000140
RECORD_TITLE: Butafenacil; 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

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CH$NAME: Butafenacil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₈ClF₃N₂O₆
CH$EXACT_MASS: 474.08055
CH$SMILES: C=CCOC(=O)C(C)(C)OC(=O)c(c(Cl)2)cc(cc2)N(C(=O)1)C(=O)N(C)C(=C1)C(F)(F)F
CH$IUPAC: InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
CH$LINK: CAS 134605-64-4
CH$LINK: INCHIKEY JEDYYFXHPAIBGR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9034365

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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

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 492.27
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-001i-0900000000-694bbd6ac2cbdcc2c29c
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  124 129 129
  152 106 106
  180 999 999
  181 27 27
  331 8 8
//