MassBank Record: WA002591



 Bromacil; LC-ESI-Q; MS; NEG; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002591
RECORD_TITLE: Bromacil; LC-ESI-Q; MS; NEG; 45 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$NAME: Bromacil CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13BrN2O2 CH$EXACT_MASS: 260.01604 CH$SMILES: CCC(C)N(C(=O)1)C(=O)C(Br)=C(C)N1 CH$IUPAC: InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14) CH$LINK: CAS 314-40-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.450 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0bt9-0090000000-235e0af26b71162dd04f PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 160 67 67 162 63 63 203 404 404 204 24 24 205 384 384 206 24 24 259 999 999 260 94 94 261 932 932 262 94 94 //