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
//