MassBank Record: MSBNK-Waters-WA000209

Dichlorprop; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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ACCESSION: MSBNK-Waters-WA000209
RECORD_TITLE: Dichlorprop; 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

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CH$NAME: Dichlorprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈Cl₂O₃
CH$EXACT_MASS: 233.98505
CH$SMILES: OC(=O)C(C)Oc(c1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
CH$LINK: CAS 120-36-5
CH$LINK: INCHIKEY MZHCENGPTKEIGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020440

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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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 232.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-03di-0900000000-c42a889619babd9f76f0
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  124 31 31
  151 8 8
  159 16 16
  161 999 999
  162 16 16
  233 20 20
//