MassBank Record: MSBNK-Waters-WA000001

Azamethiphos; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000001
RECORD_TITLE: Azamethiphos; LC-ESI-QQ; MS2; CE:10 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$NAME: Azamethiphos
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀ClN₂O₅PS
CH$EXACT_MASS: 323.97366
CH$SMILES: COP(=O)(OC)SCN(C(=O)1)c(n2)c(cc(Cl)c2)O1
CH$IUPAC: InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
CH$LINK: CAS 35575-96-3
CH$LINK: INCHIKEY VNKBTWQZTQIWDV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9034818

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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 10 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 325.03
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-004i-0009000000-d6f0632c06b15ba41e9b
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  183 90 90
  324 31 31
  325 999 999
  326 31 31
//