ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003800
RECORD_TITLE: 1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O
CH$EXACT_MASS: 176.09496
CH$SMILES: O=C(C2)N(C)C(C2)c(c1)cncc1
CH$IUPAC: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
CH$LINK: INCHIKEY UIKROCXWUNQSPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047577

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-004i-0900000000-61e8e1349a9d42866260
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  98 1.31 13
  117 0.11 1
  147 0.12 1
  174 0.19 2
  177 99.99 999
  178 32.92 329
  179 3.8 38
  180 0.29 3
//