ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004500
RECORD_TITLE: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID; 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$NAME: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H8N2O3
CH$EXACT_MASS: 240.05349
CH$SMILES: OC(=O)C(=C([H])3)C(=O)N(C(=N3)1)c(c2)c(ccc2)C([H])=C([H])1
CH$IUPAC: InChI=1S/C13H8N2O3/c16-12-9(13(17)18)7-14-11-6-5-8-3-1-2-4-10(8)15(11)12/h1-7H,(H,17,18)
CH$LINK: INCHIKEY PBPJARVCNLMOJA-UHFFFAOYSA-N
AC$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: splash10-002g-1940000000-4a5c527728e986d76803
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  64 11 110
  75 12 120
  77 15 150
  101 2.8 28
  128 87 870
  129 24 240
  140 13 130
  141 0.45 5
  155 4.3 43
  167 7.1 71
  168 59 590
  169 1.1 11
  194 5.5 55
  195 41 410
  196 44 440
  197 0.58 6
  212 29 290
  213 4.1 41
  223 2 20
  240 99.99 999
  241 17 170
//
