ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005064
RECORD_TITLE: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID BUTYL 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$NAME: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆N₂O₃
CH$EXACT_MASS: 296.11609
CH$SMILES: CCCCOC(=O)C(=C([H])3)C(=O)N(c21)C(=N3)C([H])=C([H])c(cccc2)1
CH$IUPAC: InChI=1S/C17H16N2O3/c1-2-3-10-22-17(21)13-11-18-15-9-8-12-6-4-5-7-14(12)19(15)16(13)20/h4-9,11H,2-3,10H2,1H3
CH$LINK: CAS 63455-53-8
CH$LINK: INCHIKEY LDBMQSOXPOLETB-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$SPLASH: splash10-004j-0980000000-148df66c0a6c8e97faac
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  64 8 80
  77 7.8 78
  101 14 140
  128 99.99 999
  129 24 240
  140 14 140
  155 10 100
  168 4.7 47
  169 9.6 96
  194 3.2 32
  195 23 230
  196 6 60
  197 9.4 94
  212 34 340
  213 4.7 47
  223 9.5 95
  224 16 160
  240 46 460
  241 12 120
  268 0.33 3
  296 60 600
  297 17 170
//