ACCESSION: MSBNK-Waters-WA002759
RECORD_TITLE: Diuron; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-00m0-0980000000-9d00880f10378f43e285
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  101 31 31
  106 12 12
  107 31 31
  108 8 8
  115 55 55
  116 51 51
  117 635 635
  118 35 35
  119 24 24
  124 20 20
  126 55 55
  127 8 8
  131 8 8
  133 12 12
  134 16 16
  138 12 12
  140 24 24
  142 12 12
  143 8 8
  148 8 8
  151 12 12
  153 31 31
  158 31 31
  159 16 16
  160 278 278
  162 141 141
  164 39 39
  166 12 12
  167 24 24
  168 12 12
  171 8 8
  172 8 8
  173 12 12
  175 274 274
  177 39 39
  178 24 24
  179 16 16
  184 27 27
  187 12 12
  188 118 118
  189 8 8
  190 35 35
  191 12 12
  193 8 8
  196 8 8
  199 8 8
  200 16 16
  202 12 12
  209 8 8
  211 12 12
  213 16 16
  215 20 20
  217 12 12
  224 12 12
  227 24 24
  231 12 12
  233 999 999
  234 74 74
  235 545 545
  236 16 16
  237 67 67
  239 12 12
  240 90 90
  245 12 12
  248 12 12
  251 8 8
  255 16 16
  256 12 12
  257 47 47
  258 8 8
  263 8 8
  270 12 12
  280 12 12
//