ACCESSION: MSBNK-Waters-WA002756
RECORD_TITLE: Diuron; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0059-0900000000-2b4df186019455e9776d
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  101 35 35
  102 27 27
  105 31 31
  106 43 43
  107 47 47
  109 494 494
  110 86 86
  111 98 98
  112 16 16
  114 31 31
  115 94 94
  121 20 20
  123 20 20
  124 114 114
  125 999 999
  126 71 71
  127 337 337
  129 27 27
  132 16 16
  133 901 901
  134 27 27
  135 529 529
  136 39 39
  137 102 102
  139 39 39
  140 16 16
  141 43 43
  142 47 47
  143 43 43
  144 8 8
  146 8 8
  147 43 43
  148 20 20
  150 51 51
  152 20 20
  154 8 8
  156 20 20
  158 12 12
  160 63 63
  161 55 55
  162 31 31
  165 35 35
  168 12 12
  171 8 8
  172 16 16
  174 59 59
  176 8 8
  179 12 12
  187 12 12
  193 8 8
  199 20 20
  209 31 31
  213 8 8
  219 8 8
  221 8 8
  222 16 16
  229 8 8
  233 94 94
  234 20 20
  235 43 43
  240 12 12
  244 20 20
  249 16 16
  255 12 12
  256 8 8
  268 16 16
  271 16 16
  274 8 8
  276 8 8
//