MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007980
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007980
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-1390000000-22c71a7e4dbf9c7acab5
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
55 5.62 56
56 2.91 29
57 6.98 70
61 4.91 49
69 2.6 26
71 1.73 17
75 1.39 14
79 6.25 63
87 1.07 11
89 1.18 12
91 3.09 31
93 1.36 14
97 1.54 15
101 2.86 29
104 4.2 42
105 1.73 17
107 1.73 17
113 1.36 14
115 3.91 39
119 1.23 12
127 1.05 11
129 3.88 39
132 1.18 12
143 1.94 19
157 1.26 13
167 2.67 27
175 22.16 222
176 2.73 27
177 2.88 29
180 1.2 12
181 1.07 11
182 3.25 33
189 1.47 15
191 2.83 28
195 1.1 11
205 1.26 13
209 2.94 29
210 3.23 32
212 2.25 23
223 1.12 11
225 2.94 29
237 1.28 13
238 1.44 14
252 3.41 34
253 99.99 999
254 17.54 175
255 2.28 23
267 10.92 109
268 2.15 22
269 1.2 12
281 16.31 163
282 2.86 29
283 1.57 16
285 1.1 11
293 4.17 42
294 1.23 12
295 2.18 22
//