ACCESSION: MSBNK-Waters-WA000064
RECORD_TITLE: Cyazofamid; 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

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

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

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

PK$SPLASH: splash10-004i-0419000000-642e7863471979a91cc2
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  107 498 498
  109 12 12
  216 20 20
  261 102 102
  267 8 8
  280 8 8
  325 999 999
  326 59 59
//