MassBank Record: WA000341



 Phenindione; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000341
RECORD_TITLE: Phenindione; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0910000000-4e9b1504640a7ef68e5d PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 101 8 8 102 8 8 104 24 24 105 35 35 106 8 8 109 8 8 117 24 24 119 20 20 120 27 27 123 27 27 128 8 8 132 8 8 135 8 8 137 8 8 142 8 8 145 16 16 151 306 306 152 129 129 153 12 12 157 8 8 163 8 8 165 102 102 166 24 24 167 27 27 176 999 999 177 690 690 178 153 153 179 35 35 185 12 12 194 90 90 195 43 43 203 8 8 205 435 435 206 74 74 223 12 12 //