ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007917
RECORD_TITLE: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID ISOPROPYL 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$NAME: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID ISOPROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14N2O3
CH$EXACT_MASS: 282.10044
CH$SMILES: CC(C)OC(=O)C(=C3)C(=O)N(C1=N3)c(c2)c(ccc2)C=C1
CH$IUPAC: InChI=1S/C16H14N2O3/c1-10(2)21-16(20)12-9-17-14-8-7-11-5-3-4-6-13(11)18(14)15(12)19/h3-10H,1-2H3
CH$LINK: INCHIKEY FKFQNAKEKPOTSM-UHFFFAOYSA-N
AC$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: splash10-003s-1960000000-f7e3559e8121ddd5a055
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  64 6.5 65
  69 16 160
  77 6.4 64
  101 1.2 12
  128 67 670
  129 15 150
  140 9.8 98
  155 0.52 5
  167 5.2 52
  168 37 370
  169 7.5 75
  194 0.4 4
  195 19 190
  196 79 790
  197 10 100
  212 5 50
  223 37 370
  224 12 120
  239 3.5 35
  240 0.77 8
  254 2.3 23
  268 3.2 32
  282 99.99 999
  283 17 170
//
