ACCESSION: MSBNK-Waters-WA000067
RECORD_TITLE: Cyazofamid; LC-ESI-QQ; MS2; CE:40 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 40 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$SPLASH: splash10-0a4i-1911000000-fa252d84612b51f4a9b9
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  51 8 8
  53 16 16
  55 16 16
  57 8 8
  60 35 35
  61 8 8
  63 67 67
  65 63 63
  67 12 12
  69 8 8
  71 8 8
  75 8 8
  77 59 59
  79 47 47
  80 8 8
  82 8 8
  85 74 74
  88 8 8
  94 8 8
  96 8 8
  101 12 12
  102 63 63
  104 39 39
  106 8 8
  107 999 999
  112 192 192
  115 16 16
  116 102 102
  120 8 8
  122 20 20
  123 8 8
  125 12 12
  127 35 35
  129 439 439
  130 78 78
  132 55 55
  133 12 12
  135 8 8
  136 59 59
  138 27 27
  142 8 8
  144 43 43
  147 12 12
  151 16 16
  153 125 125
  155 290 290
  156 71 71
  160 8 8
  162 12 12
  163 94 94
  164 20 20
  167 43 43
  169 8 8
  171 43 43
  174 12 12
  176 12 12
  179 67 67
  181 78 78
  182 114 114
  183 67 67
  186 12 12
  188 16 16
  190 94 94
  193 8 8
  198 8 8
  199 35 35
  200 8 8
  205 16 16
  208 16 16
  210 8 8
  213 12 12
  215 8 8
  217 12 12
  219 8 8
  221 8 8
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  229 8 8
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  231 59 59
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  386 16 16
  389 16 16
  391 8 8
  395 8 8
  396 16 16
//