ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004499
RECORD_TITLE: 6-METHYL-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$NAME: 6-METHYL-4-OXO-1,6,7,8,9,9A-HEXAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈N₂O₃
CH$EXACT_MASS: 238.13174
CH$SMILES: CCOC(=O)C(=C1)C(=O)N(C(C)2)C(CCC2)N1
CH$IUPAC: InChI=1S/C12H18N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h7-8,10,13H,3-6H2,1-2H3
CH$LINK: INCHIKEY LRNCBUQKZLZXAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00952191

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-006t-7920000000-39728d862f3b5eef8cbd
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  41 26 260
  42 17 170
  43 3 30
  53 0.4 4
  54 14 140
  55 31 310
  68 17.9 179
  69 4.49 45
  70 16.5 165
  80 6.1 61
  81 5.9 59
  82 1.95 20
  84 5.5 55
  95 10.2 102
  96 44.9 449
  97 99.99 999
  98 21.2 212
  108 8.1 81
  109 4 40
  122 0.66 7
  123 91.4 914
  124 10.5 105
  134 5 50
  135 0.6 6
  136 15 150
  137 12 120
  140 8.3 83
  141 1.25 13
  142 11.8 118
  149 4 40
  150 5.2 52
  151 0.35 4
  162 5 50
  163 7 70
  164 22 220
  165 6.26 63
  166 11.1 111
  169 81.8 818
  170 4 40
  175 0.4 4
  177 4 40
  181 4.7 47
  183 4.2 42
  191 2.2 22
  192 17 170
  193 20.1 201
  194 4.5 45
  195 0.39 4
  196 5.6 56
  209 14.4 144
  210 4.8 48
  211 0.8 8
  223 17.3 173
  236 7 70
  237 45 450
  238 8.82 88
  239 12.8 128
//