WA000066.txt

ACCESSION: WA000066
RECORD_TITLE: Cyazofamid; LC-ESI-QQ; MS2; CE:30 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 30 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: splash10-0a4i-0900000000-add598386e3bf311b1ec
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  64 16 16
  65 16 16
  68 12 12
  105 16 16
  108 999 999
  109 16 16
  111 12 12
  115 16 16
  117 12 12
  128 121 121
  138 20 20
  147 20 20
  160 8 8
  164 141 141
  177 24 24
  181 24 24
  183 12 12
  209 12 12
  210 27 27
  216 43 43
  217 27 27
  245 8 8
//