ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007901
RECORD_TITLE: 1,6-DIMETHYL-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$NAME: 1,6-DIMETHYL-4-OXO-1,6,7,8,9,9A-HEXAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20N2O3
CH$EXACT_MASS: 252.14739
CH$SMILES: CCOC(=O)C(=C([H])1)C(=O)N(C(C)2)C(CCC2)N(C)1
CH$IUPAC: InChI=1S/C13H20N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9,11H,4-7H2,1-3H3
CH$LINK: INCHIKEY GLHCZAOYBZLTCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40952610
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$SPLASH: splash10-0fsu-7940000000-e4b379904dce53b957a7
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  41 21.5 215
  42 80 800
  53 6 60
  54 1.3 13
  55 28 280
  69 65 650
  82 22.5 225
  83 0.9 9
  84 19 190
  96 17.5 175
  97 40 400
  98 5 50
  110 60 600
  117 12.5 125
  119 13 130
  123 0.85 9
  128 6 60
  131 9.5 95
  137 65 650
  138 1.5 15
  149 9.5 95
  150 6.5 65
  151 17.5 175
  155 0.65 7
  156 26.5 265
  178 9.5 95
  179 8 80
  183 99.99 999
  184 9.5 95
  195 4.5 45
  197 5 50
  205 0.3 3
  206 14 140
  207 19 190
  208 3.5 35
  209 0.45 5
  210 8 80
  219 20.5 205
  223 13.5 135
  224 0.4 4
  237 8 80
  251 20 200
  252 80 800
  253 11.5 115
//
