MassBank Record: MSBNK-Waters-WA000065

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

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ACCESSION: MSBNK-Waters-WA000065
RECORD_TITLE: Cyazofamid; 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$NAME: Cyazofamid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₃ClN₄O₂S
CH$EXACT_MASS: 324.04477
CH$SMILES: Cc(c2)ccc(c2)c(c(Cl)1)n(c(C#N)n1)S(=O)(=O)N(C)C
CH$IUPAC: InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
CH$LINK: CAS 120116-88-3
CH$LINK: INCHIKEY YXKMMRDKEKCERS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9034492

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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 20 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 325.14
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-0a4i-0900000000-b128db8be84921665105
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  108 999 999
  109 12 12
  217 51 51
  225 16 16
  261 20 20
  280 12 12
  325 12 12
//