ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004302
RECORD_TITLE: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-PROPIONIC 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$NAME: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-PROPIONIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄N₂O₃
CH$EXACT_MASS: 246.10044
CH$SMILES: CCOC(=O)CCC(=C1)C(=O)N(C=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C13H14N2O3/c1-2-18-12(16)7-6-10-9-14-11-5-3-4-8-15(11)13(10)17/h3-5,8-9H,2,6-7H2,1H3
CH$LINK: INCHIKEY YIXJMFGCUAPJCZ-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$SPLASH: splash10-00di-1930000000-362fad6ec955ebf002f4
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  39 2.9 29
  41 1.4 14
  51 7.4 74
  52 0.34 3
  53 1.1 11
  55 6.3 63
  69 1.9 19
  78 4.71 47
  79 8 80
  90 2 20
  100.5 1 10
  105 0.97 10
  117 1.1 11
  118 2.4 24
  131 8.6 86
  143 0.39 4
  144 12.3 123
  145 4.3 43
  146 9.4 94
  159 8.29 83
  160 8.6 86
  171 4.9 49
  172 99.99 999
  173 3.71 37
  174 4.7 47
  175 1.4 14
  199 5.4 54
  200 1.2 12
  201 21.4 214
  202 2.4 24
  246 35.7 357
  247 0.54 5
  248 0.3 3
//