ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004489
RECORD_TITLE: 7-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$NAME: 7-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12N2O3
CH$EXACT_MASS: 232.08479
CH$SMILES: CCOC(=O)C(=C1)C(=O)N(C=2)C(C=CC(C)2)=N1
CH$IUPAC: InChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-13-10-5-4-8(2)7-14(10)11(9)15/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY LVRKSDQLEQQBHH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50876757
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$SPLASH: splash10-01ql-4930000000-1263d82811b506b1d5d6
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  39 11.2 112
  41 2.1 21
  43 1.4 14
  44 0.11 1
  50 1.4 14
  51 5.3 53
  52 6.7 67
  53 1.54 15
  54 1.1 11
  63 3.2 32
  64 4.9 49
  65 3.51 35
  66 7.4 74
  68 1.1 11
  76 2.1 21
  77 0.98 10
  78 4.6 46
  79 1.1 11
  79.5 1.1 11
  90 0.11 1
  91 4.2 42
  92 73.7 737
  93 16.8 168
  93.5 0.11 1
  94 1.1 11
  103 1.6 16
  104 6 60
  105 0.18 2
  118 1.8 18
  119 26.3 263
  120 1.8 18
  131 0.42 4
  132 42.1 421
  133 4.2 42
  158 2.1 21
  159 2.63 26
  160 80.7 807
  161 8.4 84
  176 15.1 151
  177 0.14 1
  186 1.1 11
  187 93 930
  188 11.6 116
  189 0.18 2
  203 0.4 4
  204 3.9 39
  205 0.4 4
  231 0.18 2
  232 99.99 999
  233 14 140
  234 1.4 14
//
