ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007987
RECORD_TITLE: METHSUXIMIDE; 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$NAME: METHSUXIMIDE
CH$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: 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$SPLASH: splash10-0udi-0490000000-37eb2b7cfbb3d8b42e97
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  35 1.4 14
  37 10.13 101
  42 4.15 42
  70 1.26 13
  111 6.59 66
  125 61.74 617
  126 5.24 52
  140 1.05 11
  161 1.14 11
  176 4.19 42
  187 1.59 16
  188 1.99 20
  200 1.15 12
  201 9.62 96
  202 99.99 999
  203 34.08 341
  204 10.68 107
  205 1.4 14
  215 6.78 68
  216 1.71 17
  220 1.94 19
  230 1.19 12
  235 1.35 14
//