MassBank Record: WA002781



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

ACCESSION: WA002781
RECORD_TITLE: Coumatetralyl; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Coumatetralyl CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H16O3 CH$EXACT_MASS: 292.10994 CH$SMILES: c(c4)cc(C3)c(c4)C(CC3)C(C(=O)1)=C(O)c(c2)c(ccc2)O1 CH$IUPAC: InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2 CH$LINK: CAS 5836-29-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 18.600 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0930000000-d077a8e8382071211c4b PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 105 47 47 107 74 74 108 8 8 119 31 31 121 12 12 129 27 27 131 337 337 132 35 35 147 16 16 159 8 8 163 168 168 164 20 20 175 999 999 176 114 114 177 8 8 179 16 16 189 31 31 212 20 20 215 35 35 216 51 51 244 8 8 293 427 427 294 102 102 295 12 12 296 8 8 305 24 24 315 12 12 331 8 8 //