ACCESSION: MSBNK-Waters-WA000062
RECORD_TITLE: Chloridazon; 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$NAME: Chloridazon
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈ClN₃O
CH$EXACT_MASS: 221.03559
CH$SMILES: NC(C=2)=C(Cl)C(=O)N(N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
CH$LINK: CAS 1698-60-8
CH$LINK: INCHIKEY WYKYKTKDBLFHCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3034872

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 221.96
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0f96-9400000000-945f2c1a6d3db083c076
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  51 16 16
  55 55 55
  65 470 470
  66 24 24
  72 8 8
  73 31 31
  75 8 8
  77 921 921
  78 12 12
  83 47 47
  87 121 121
  92 999 999
  93 223 223
  101 180 180
  102 12 12
  103 611 611
  105 16 16
  115 12 12
  116 35 35
  118 24 24
  120 8 8
  129 168 168
  130 59 59
  132 27 27
  141 12 12
  146 168 168
  147 8 8
  149 39 39
  158 20 20
  159 12 12
  163 8 8
  164 12 12
  177 8 8
  186 8 8
  191 90 90
  193 24 24
  207 20 20
  222 94 94
//