ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004490
RECORD_TITLE: 8-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID 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$NAME: 8-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂N₂O₃
CH$EXACT_MASS: 232.08479
CH$SMILES: CCOC(=O)C(=C1)C(=O)N(C=2)C(C=C(C)C2)=N1
CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-17-12(16)9-7-13-10-6-8(2)4-5-14(10)11(9)15/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY BHAQEKYGTIQOGF-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$SPLASH: splash10-01qi-2920000000-ee1f10849b38cb8b70db
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  39 10 100
  41 3 30
  43 0.9 9
  44 0.12 1
  50 1.5 15
  51 4.2 42
  52 4.2 42
  53 1.18 12
  54 0.9 9
  63 2.4 24
  64 5.5 55
  65 2.73 27
  66 6.1 61
  76 1.8 18
  77 7.9 79
  78 0.39 4
  79.5 1.2 12
  90 0.9 9
  91 5.8 58
  92 7.73 77
  93 14.5 145
  94 0.9 9
  103 0.9 9
  104 0.61 6
  105 1.1 11
  118 1.5 15
  119 28.8 288
  120 0.21 2
  131 4.8 48
  132 36.4 364
  133 3.3 33
  149 0.09 1
  158 1.8 18
  159 24.2 242
  160 90.9 909
  161 0.97 10
  175 0.6 6
  176 13.3 133
  177 1.2 12
  186 0.15 2
  187 99.99 999
  188 13.6 136
  189 1.5 15
  204 0.58 6
  205 0.3 3
  231 0.3 3
  232 90.9 909
  233 1.27 13
  234 0.9 9
//