ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004492
RECORD_TITLE: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETICACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETICACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂N₂O₃
CH$EXACT_MASS: 232.08479
CH$SMILES: CCOC(=O)CC(=C1)C(=O)N(C=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C12H12N2O3/c1-2-17-11(15)7-9-8-13-10-5-3-4-6-14(10)12(9)16/h3-6,8H,2,7H2,1H3
CH$LINK: INCHIKEY YGTOZAFCXGHMCT-UHFFFAOYSA-N

AC$INSTRUMENT: MS-902
AC$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$SPLASH: splash10-0a4i-2900000000-58cc5cfcc77be7591b0b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39 2.1 21
  51 3.8 38
  52 1.8 18
  55 0.57 6
  65.5 1.1 11
  77 0.7 7
  78 23 230
  79 0.46 5
  79.5 1.1 11
  104 0.5 5
  105 7.5 75
  106 0.05 1
  129 0.2 2
  130 0.9 9
  131 4.1 41
  132 0.11 1
  158 1.1 11
  159 99.99 999
  160 11.1 111
  161 0.13 1
  175 0.5 5
  186 1.2 12
  187 4.5 45
  188 0.11 1
  203 0.1 1
  218 0.7 7
  231 0.1 1
  232 2.6 26
  233 3.6 36
  234 0.9 9
//