ACCESSION: MSBNK-Waters-WA002760
RECORD_TITLE: Diuron; LC-ESI-Q; MS; POS; 15 V, 30 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 15 V, 30 V

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

PK$SPLASH: splash10-001r-0090000000-a74de4ca95f288f9616a
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  199 8 8
  215 8 8
  233 999 999
  234 114 114
  235 619 619
  236 47 47
  237 114 114
  238 12 12
  255 16 16
  256 8 8
  257 12 12
  278 8 8
//