MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007973
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007973
RECORD_TITLE: PHENYTOIN; EI-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$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zgi-5960000000-e1dcb47a1c082f04f456
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
51 9.86 99
52 23.82 238
53 5.18 52
54 1.52 15
60 1.57 16
62 1.02 10
63 2.57 26
65 2.24 22
74 2.35 24
75 2.32 23
76 13.32 133
77 62.26 623
78 17.81 178
82 16.7 167
83 8.67 87
87 1.35 14
89 1.44 14
90 10.5 105
91 1.55 16
93 3.18 32
94 1.99 20
102 2.1 21
103 6.62 66
104 66.58 666
105 11.58 116
115 1.55 16
127 1.38 14
130 2.38 24
132 1.33 13
139 2.63 26
145 1.13 11
147 10.72 107
151 1.8 18
152 4.1 41
153 1.82 18
163 2.68 27
164 4.18 42
165 27.23 272
166 5.15 52
174 1.13 11
175 5.65 57
179 2.1 21
180 99.99 999
181 26.1 261
182 5.18 52
206 1.24 12
208 21.86 219
209 54.53 545
210 9.06 91
223 49.79 498
224 8.81 88
225 1.24 12
252 52.17 522
253 10.64 106
//