ACCESSION: MSBNK-Waters-WA002758
RECORD_TITLE: Diuron; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Diuron
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀Cl₂N₂O
CH$EXACT_MASS: 232.01702
CH$SMILES: CN(C)C(=O)Nc(c1)cc(Cl)c(Cl)c1
CH$IUPAC: InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
CH$LINK: CAS 330-54-1
CH$LINK: INCHIKEY XMTQQYYKAHVGBJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020446

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.030 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

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

PK$SPLASH: splash10-03di-0910000000-c5b9f9539b8c96a7eed5
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  100 98 98
  101 63 63
  103 27 27
  109 16 16
  112 121 121
  115 16 16
  116 47 47
  117 384 384
  118 39 39
  119 47 47
  120 47 47
  121 98 98
  122 20 20
  123 24 24
  124 86 86
  125 278 278
  126 90 90
  127 165 165
  130 67 67
  131 51 51
  133 337 337
  135 204 204
  136 51 51
  137 63 63
  140 59 59
  143 20 20
  144 16 16
  145 20 20
  146 24 24
  147 90 90
  148 31 31
  153 125 125
  154 12 12
  155 74 74
  157 24 24
  158 43 43
  160 999 999
  161 16 16
  162 725 725
  163 125 125
  164 141 141
  165 8 8
  167 39 39
  168 43 43
  169 12 12
  173 35 35
  174 47 47
  175 86 86
  176 12 12
  178 8 8
  179 43 43
  183 20 20
  184 8 8
  187 12 12
  188 78 78
  190 55 55
  195 12 12
  196 8 8
  197 27 27
  201 141 141
  202 35 35
  203 12 12
  205 12 12
  206 24 24
  208 12 12
  212 16 16
  213 8 8
  217 27 27
  219 8 8
  221 31 31
  227 67 67
  229 16 16
  231 20 20
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  233 114 114
  235 8 8
  236 8 8
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  239 8 8
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  253 8 8
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  256 8 8
  257 8 8
  262 24 24
  264 16 16
  265 12 12
  267 39 39
  269 16 16
  270 16 16
  274 8 8
  277 8 8
  280 27 27
//