MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003818
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003818
RECORD_TITLE: MEPHENYTOIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: MEPHENYTOIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14N2O2
CH$EXACT_MASS: 218.10553
CH$SMILES: CCC(N1)(c(c2)cccc2)C(=O)N(C)C(=O)1
CH$IUPAC: InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
CH$LINK: INCHIKEY
GMHKMTDVRCWUDX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9023257
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0f79-2900000000-af8712fc36e2b911e9a8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
50 2.9 29
51 9.9 99
52 1.9 19
53 0.02 0
54 1.4 14
55 0.4 4
56 3.9 39
75 0.14 1
76 3.9 39
77 22.9 229
78 2.9 29
89 0.14 1
90 0.4 4
91 4.4 44
102 0.9 9
103 0.59 6
104 86 860
105 8.9 89
116 3.9 39
117 0.09 1
118 3.4 34
119 1.9 19
132 5.4 54
133 0.09 1
160 1.4 14
161 0.9 9
189 99.99 999
190 1.24 12
191 0.9 9
203 1.9 19
218 5.4 54
219 0.9 9
//