MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007986
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007986
RECORD_TITLE: PHENYTOIN; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: PHENYTOIN
CH$NAME: DIPHENYLHYDANTOIN
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: INCHIKEY
CXOFVDLJLONNDW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020541
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0udi-2190000000-50174e33af92b04d1a6e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
31 1.96 20
42 61.85 619
106 1.96 20
128 2.75 28
141 1.86 19
142 2.78 28
144 1.15 12
147 3.08 31
156 1.01 10
174 5.28 53
175 8.56 86
179 4.02 40
182 1.43 14
192 2.75 28
193 1.11 11
194 3.56 36
206 1.27 13
207 1.1 11
208 2.28 23
209 6.1 61
210 2.11 21
220 1.08 11
221 11.42 114
222 2.82 28
223 1.59 16
224 7.22 72
225 1.88 19
234 1.02 10
235 2.07 21
236 3.44 34
237 2.99 30
238 1.02 10
250 1.43 14
251 99.99 999
252 49.85 499
253 9.22 92
254 3.69 37
264 3.88 39
265 3.97 40
266 13.3 133
267 3.86 39
268 3.58 36
279 1.49 15
280 4.08 41
281 1.41 14
282 1.2 12
287 5.07 51
288 1.11 11
289 1.84 18
294 1.54 15
//