MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007975
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007975
RECORD_TITLE: METHSUXIMIDE; 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$NAME: METHSUXIMIDE
CH$NAME: 1,3-DIMETHYL-3-PHENYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13NO2
CH$EXACT_MASS: 203.09463
CH$SMILES: O=C(C1)N(C)C(=O)C(C)1c(c2)cccc2
CH$IUPAC: InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3
CH$LINK: INCHIKEY
AJXPJJZHWIXJCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5023293
AC$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: splash10-014i-3910000000-9cae394b5b94a483c401
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
51 3.24 32
52 8.5 85
53 1.48 15
55 1.66 17
57 1.29 13
58 4.22 42
63 2.82 28
65 2.57 26
74 1.04 10
75 1.72 17
76 1.95 20
77 14.27 143
78 12.76 128
79 1.51 15
89 1.58 16
90 1.29 13
91 8.34 83
92 1.03 10
102 3.36 34
103 17.88 179
104 1.83 18
115 7.97 80
116 2.56 26
117 35.14 351
118 99.99 999
119 11.06 111
149 1.26 13
203 27.12 271
204 4.27 43
//