ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004303
RECORD_TITLE: 9-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC 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$NAME: 9-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄N₂O₃
CH$EXACT_MASS: 246.10044
CH$SMILES: CCOC(=O)CC(=C2)C(=O)N(C=1)C(=N2)C(C)=CC1
CH$IUPAC: InChI=1S/C13H14N2O3/c1-3-18-11(16)7-10-8-14-12-9(2)5-4-6-15(12)13(10)17/h4-6,8H,3,7H2,1-2H3
CH$LINK: INCHIKEY INWGIESOXMAPPF-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$SPLASH: splash10-00di-2900000000-0a247c93e4f2501d06d2
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39 5 50
  44 0.7 7
  51 1 10
  52 0.12 1
  55 5 50
  63 1 10
  64 1.5 15
  65 0.85 9
  66 1.5 15
  72 1 10
  72.5 1 10
  78 0.07 1
  86.5 1.5 15
  90 0.7 7
  91 1.2 12
  92 2.12 21
  93 3.2 32
  117 0.7 7
  118 0.7 7
  119 0.4 4
  120 0.5 5
  143 1 10
  144 2.7 27
  145 0.45 5
  146 1 10
  172 0.7 7
  173 99.99 999
  174 1.25 13
  175 1 10
  178 0.5 5
  200 0.7 7
  201 0.37 4
  217 0.2 2
  232 1.2 12
  233 0.2 2
  246 2.5 25
  247 3.7 37
  248 0.5 5
//