ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007988
RECORD_TITLE: PHENSUXIMIDE; 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$NAME: PHENSUXIMIDE
CH$NAME: 1-METHYL-3-PHENYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁NO₂
CH$EXACT_MASS: 189.07898
CH$SMILES: O=C(C1)N(C)C(=O)C1c(c2)cccc2
CH$IUPAC: InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
CH$LINK: INCHIKEY WLWFNJKHKGIJNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023460

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$SPLASH: splash10-000i-0910000000-4a3cc5eeab3149bc14fb
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  42 1.96 20
  102 1.24 12
  111 7.04 70
  129 1.11 11
  147 1.55 16
  161 1.21 12
  187 3.43 34
  188 99.99 999
  189 35.78 358
  190 8.34 83
  191 1.55 16
  201 20.84 208
  202 4.27 43
  203 2.57 26
  205 1.24 12
  206 1.79 18
  215 1.14 11
  216 1.16 12
  217 1.98 20
//