ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011172
RECORD_TITLE: 4-PYRIMIDINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-PYRIMIDINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₄N₂O
CH$EXACT_MASS: 96.03236
CH$SMILES: O=C(C=1)NC=NC1
CH$IUPAC: InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
CH$LINK: INCHIKEY DNCYBUMDUBHIJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5063524

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00kg-9000000000-70bc8298a30dcebb8ab7
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  37 2 20
  38 16.2 162
  39 23.3 233
  40 58.6 586
  41 63.3 633
  42 60.3 603
  43 13.3 133
  44 17 170
  45 2.1 21
  50 3 30
  51 14.6 146
  52 22.2 222
  53 18.5 185
  54 3.6 36
  55 5 50
  56 1.4 14
  57 3.9 39
  60 1.4 14
  65 1 10
  66 1.1 11
  67 11.8 118
  68 83.4 834
  69 51 510
  70 3.4 34
  71 2 20
  73 1.6 16
  77 1.2 12
  79 3.7 37
  81 1.7 17
  82 1.1 11
  83 1.8 18
  85 1.1 11
  95 6.2 62
  96 99.99 999
  97 16 160
  98 1.7 17
//