MassBank Record: WA002780



 Coumatetralyl; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002780
RECORD_TITLE: Coumatetralyl; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-056r-0900000000-e46c115e28bec48c092c PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 103 24 24 105 106 106 107 705 705 108 43 43 115 12 12 116 24 24 117 16 16 118 16 16 119 16 16 121 239 239 122 12 12 128 20 20 129 55 55 131 309 309 132 51 51 143 12 12 147 12 12 159 12 12 163 129 129 164 12 12 175 999 999 176 102 102 177 8 8 187 8 8 189 47 47 198 8 8 200 8 8 212 12 12 214 8 8 215 24 24 216 47 47 217 8 8 293 47 47 294 12 12 324 12 12 //