ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004485
RECORD_TITLE: 4-OXO-1,6,7,8,9,9A-HEXAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC 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$NAME: 4-OXO-1,6,7,8,9,9A-HEXAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆N₂O₃
CH$EXACT_MASS: 224.11609
CH$SMILES: CCOC(=O)C(=C1)C(=O)N(C2)C(CCC2)N1
CH$IUPAC: InChI=1S/C11H16N2O3/c1-2-16-11(15)8-7-12-9-5-3-4-6-13(9)10(8)14/h7,9,12H,2-6H2,1H3
CH$LINK: INCHIKEY SVKDPZQTITZACV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40874242

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$SPLASH: splash10-00di-6940000000-3fba702ab459b286d46b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  54 10 100
  55 50 500
  68 15 150
  69 1.5 15
  70 20 200
  82 15 150
  83 95 950
  84 2 20
  95 10 100
  96 90 900
  97 10 100
  114 0.6 6
  122 40 400
  123 50 500
  124 35 350
  136 0.6 6
  140 18 180
  141 5 50
  142 15 150
  150 4.5 45
  151 70 700
  152 7 70
  168 10 100
  169 2.3 23
  177 55 550
  178 19 190
  179 30 300
  182 1 10
  195 25 250
  196 24 240
  223 90 900
  224 99.99 999
  225 15 150
//