ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004491
RECORD_TITLE: 9-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$NAME: 9-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂N₂O₃
CH$EXACT_MASS: 232.08479
CH$SMILES: CCOC(=O)C(=C2)C(=O)N(C=1)C(=N2)C(C)=CC1
CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-17-12(16)9-7-13-10-8(2)5-4-6-14(10)11(9)15/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY ZXNPJNYRDHFJBV-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$SPLASH: splash10-000x-9510000000-a626e3eca183f01f7ace
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  39 19.2 192
  41 3.5 35
  43 1.5 15
  44 0.27 3
  50 2.3 23
  51 8.5 85
  52 7.3 73
  53 1.92 19
  54 1.5 15
  63 4.6 46
  64 8.5 85
  65 0.44 4
  65.5 3.1 31
  66 8.1 81
  67 1.5 15
  76 0.31 3
  77 13.5 135
  78 7.7 77
  79 2.3 23
  80 0.12 1
  90 1.3 13
  91 8.1 81
  92 99.99 999
  93 2.31 23
  93.5 0.8 8
  94 1 10
  102 1.5 15
  103 0.27 3
  104 10.8 108
  105 3.5 35
  118 6.5 65
  119 0.32 3
  120 2.3 23
  129 1.9 19
  130 2.3 23
  131 1.27 13
  132 50 500
  133 4.6 46
  158 4.6 46
  159 0.23 2
  160 8.4 84
  161 8.5 85
  175 2.3 23
  176 2.31 23
  177 1.9 19
  186 2.3 23
  187 7.6 76
  188 0.92 9
  189 1.5 15
  203 0.8 8
  204 6.9 69
  205 0.04 0
  231 0.4 4
  232 8.6 86
  233 11.5 115
  234 1 10
//