ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004501
RECORD_TITLE: 1-OXO-5,6-DIHYDRO-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$NAME: 1-OXO-5,6-DIHYDRO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10N2O3
CH$EXACT_MASS: 242.06914
CH$SMILES: OC(=O)C(=C3)C(=O)N(C1=N3)c(c2)c(ccc2)CC1
CH$IUPAC: InChI=1S/C13H10N2O3/c16-12-9(13(17)18)7-14-11-6-5-8-3-1-2-4-10(8)15(11)12/h1-4,7H,5-6H2,(H,17,18)
CH$LINK: INCHIKEY MLXRYOPMMKQPES-UHFFFAOYSA-N
AC$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: splash10-0002-0910000000-e6cc14530b8e269aed0a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  77 27 270
  89 8.6 86
  90 5.7 57
  91 0.55 6
  101 7.4 74
  102 8.9 89
  103 22 220
  104 0.84 8
  115 7.4 74
  116 6.9 69
  117 8.4 84
  128 2.3 23
  129 7.8 78
  130 55 550
  131 6.1 61
  142 0.69 7
  143 7.5 75
  144 5 50
  155 3.9 39
  156 0.23 2
  168 4.2 42
  169 30 300
  170 62 620
  171 0.84 8
  197 34 340
  198 99.99 999
  199 13 130
  214 0.09 1
  225 3.1 31
  242 56 560
  243 8.4 84
//
