MassBank Record: WA002937



 Simazine; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002937
RECORD_TITLE: Simazine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Simazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12ClN5 CH$EXACT_MASS: 201.07812 CH$SMILES: CCNc(n1)nc(Cl)nc(NCC)1 CH$IUPAC: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) CH$LINK: CAS 122-34-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.520 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0390000000-627f96fe75b0e7ae8d2b PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 114 20 20 117 12 12 124 231 231 125 16 16 129 16 16 132 118 118 134 27 27 166 26 26 174 27 27 175 12 12 183 43 43 184 47 47 202 999 999 203 82 82 204 349 349 205 27 27 225 74 74 226 12 12 //