MassBank Record: WA001887



 Phenytoin; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001887
RECORD_TITLE: Phenytoin; LC-ESI-Q; MS; POS; 30 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$NAME: Phenytoin CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H12N2O2 CH$EXACT_MASS: 252.08988 CH$SMILES: O=C(N3)NC(C(=O)3)(c(c2)cccc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CH$LINK: CAS 57-41-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.900 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0390000000-14ba50ba890878feda10 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 105 8 8 109 8 8 110 12 12 121 8 8 122 27 27 124 12 12 133 8 8 165 8 8 167 20 20 175 12 12 179 8 8 182 317 317 183 59 59 208 999 999 209 153 153 210 8 8 225 16 16 242 90 90 247 8 8 253 98 98 270 8 8 275 27 27 291 8 8 294 43 43 297 12 12 //