ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007896
RECORD_TITLE: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-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$NAME: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈N₂O₃
CH$EXACT_MASS: 250.13174
CH$SMILES: CCOC(=O)CC(=C1)C(=O)N(C(C)2)C(CCC2)=N1
CH$IUPAC: InChI=1S/C13H18N2O3/c1-3-18-12(16)7-10-8-14-11-6-4-5-9(2)15(11)13(10)17/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY GVEKOTSOWVJLFX-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$SPLASH: splash10-004i-3930000000-1e2d6447549c7b1ce8e7
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39 10.5 105
  41 8.6 86
  52 4.5 45
  54 0.5 5
  55 27.3 273
  82 6.8 68
  96 3.4 34
  123 1.36 14
  135 9.5 95
  149 5 50
  150 4.5 45
  161 0.27 3
  163 5 50
  175 4.5 45
  176 35 350
  177 99.99 999
  178 13.6 136
  179 1.6 16
  196 2 20
  204 2.82 28
  205 17.3 173
  249 1.4 14
  250 42.7 427
  251 5.9 59
//