MassBank Record: MSBNK-Waters-WA001887
ACCESSION: MSBNK-Waters-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: CC BY-NC
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$LINK: CAS
57-41-0
CH$LINK: INCHIKEY
CXOFVDLJLONNDW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020541
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 14.900 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$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
//