ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004495
RECORD_TITLE: 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$NAME: 4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆N₂O₃
CH$EXACT_MASS: 236.11609
CH$SMILES: CCOC(=O)CC(=C1)C(=O)N(C2)C(CCC2)=N1
CH$IUPAC: InChI=1S/C12H16N2O3/c1-2-17-11(15)7-9-8-13-10-5-3-4-6-14(10)12(9)16/h8H,2-7H2,1H3
CH$LINK: INCHIKEY GPICITVVVLYZNF-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$SPLASH: splash10-03di-2910000000-1e972be3b9d06e964fc4
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 7.9 79
  41 2.7 27
  53 2.6 26
  54 0.36 4
  55 6.7 67
  80 1.4 14
  82 11.5 115
  135 0.16 2
  162 2.6 26
  163 99.99 999
  164 19.1 191
  165 0.13 1
  190 8.1 81
  191 7.6 76
  192 1 10
  207 0.04 0
  236 21.3 213
  237 2.9 29
  238 0.3 3
//