ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003493
RECORD_TITLE: 1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE; EI-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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9500000000-f031a7d223ea527c7a80
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  41 5.11 51
  42 2.92 29
  43 0.3 3
  44 0.38 4
  55 0.78 8
  56 0.75 8
  58 0.21 2
  68 1.27 13
  69 4.82 48
  70 1.99 20
  71 0.37 4
  78 0.47 5
  79 3.11 31
  80 3.06 31
  81 0.15 2
  91 1.26 13
  92 1.17 12
  93 0.55 6
  97 0.86 9
  98 99.99 999
  99 7.35 74
  104 0.72 7
  105 1.75 18
  106 2.01 20
  116 0.24 2
  117 1.05 11
  118 7.89 79
  119 8.1 81
  120 2.24 22
  121 6.58 66
  122 0.74 7
  123 0.32 3
  132 0.14 1
  133 0.44 4
  134 0.14 1
  145 0.24 2
  146 0.62 6
  147 5.64 56
  148 1.23 12
  149 0.17 2
  161 0.46 5
  175 8.13 81
  176 30.67 307
  177 3.79 38
  178 0.23 2
//