ACCESSION: MSBNK-Waters-WA000063
RECORD_TITLE: Chloridazon; 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$NAME: Chloridazon
CH$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 40 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$SPLASH: splash10-00ou-9200000000-09393816e63a4c8592e0
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  51 59 59
  53 12 12
  55 63 63
  63 12 12
  65 693 693
  66 59 59
  73 82 82
  75 24 24
  77 999 999
  78 16 16
  82 12 12
  87 168 168
  89 12 12
  92 443 443
  93 102 102
  100 145 145
  102 12 12
  104 153 153
  113 12 12
  114 27 27
  116 39 39
  119 35 35
  123 12 12
  128 16 16
  129 51 51
  131 12 12
  132 35 35
  146 67 67
  147 8 8
  149 20 20
  160 8 8
  163 20 20
  165 12 12
  176 8 8
  191 27 27
//