ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007889
RECORD_TITLE: 6-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$NAME: 6-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄N₂O₃
CH$EXACT_MASS: 246.10044
CH$SMILES: CCOC(=O)CC(=C1)C(=O)N(C(C)=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C13H14N2O3/c1-3-18-12(16)7-10-8-14-11-6-4-5-9(2)15(11)13(10)17/h4-6,8H,3,7H2,1-2H3
CH$LINK: INCHIKEY FHSCYCCXMSMREH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70344822

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$SPLASH: splash10-00di-2930000000-545911b9f4be27e1fb1e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  39 5.4 54
  55 6.2 62
  65 10 100
  66 0.24 2
  72.5 2.7 27
  86.5 2.7 27
  91 2.7 27
  92 2.97 30
  93 5.4 54
  117 1.4 14
  119 4.9 49
  143 0.41 4
  144 1.6 16
  145 18.5 185
  146 2.4 24
  159 0.27 3
  172 25 250
  173 99.99 999
  174 11.6 116
  175 0.11 1
  189 1.1 11
  200 10.8 108
  201 8.7 87
  202 0.12 1
  217 1.1 11
  246 31.2 312
  247 4.8 48
//