MassBank Record: WA000342



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

ACCESSION: WA000342
RECORD_TITLE: Phenindione; 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$NAME: Phenindione CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H10O2 CH$EXACT_MASS: 222.06808 CH$SMILES: c(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H CH$LINK: CAS 83-12-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.140 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: splash10-0a6r-0890000000-ebc103a4e6e77b920168 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 102 8 8 104 27 27 112 20 20 114 27 27 118 8 8 128 8 8 130 8 8 141 47 47 145 27 27 151 67 67 152 20 20 153 8 8 158 20 20 165 27 27 166 12 12 167 35 35 170 12 12 176 176 176 177 454 454 178 55 55 179 35 35 181 16 16 182 12 12 194 51 51 195 180 180 196 27 27 205 999 999 206 184 184 207 8 8 217 8 8 218 8 8 223 149 149 224 24 24 229 8 8 241 8 8 242 8 8 //