ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007904
RECORD_TITLE: 1-OXO-5,6-DIHYDRO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID METHYL 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$NAME: 1-OXO-5,6-DIHYDRO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12N2O3
CH$EXACT_MASS: 256.08479
CH$SMILES: COC(=O)C(=C3)C(=O)N(C1=N3)c(c2)c(ccc2)CC1
CH$IUPAC: InChI=1S/C14H12N2O3/c1-19-14(18)10-8-15-12-7-6-9-4-2-3-5-11(9)16(12)13(10)17/h2-5,8H,6-7H2,1H3
CH$LINK: INCHIKEY DSYTVTCQTXYCFF-UHFFFAOYSA-N
AC$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: splash10-0a7i-1890000000-68d3218d30a299066b9e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  77 17 170
  89 5.3 53
  90 3.4 34
  91 0.26 3
  101 4 40
  102 5.8 58
  103 16 160
  104 0.58 6
  115 4.7 47
  116 4.1 41
  117 4 40
  128 1.2 12
  129 4.8 48
  130 58 580
  131 7.7 77
  142 0.57 6
  143 4.1 41
  144 5.6 56
  156 3.4 34
  169 0.9 9
  170 7.7 77
  195 2.7 27
  196 6.6 66
  197 0.64 6
  198 42 420
  199 6.7 67
  225 62 620
  226 0.94 9
  227 2.8 28
  228 9.5 95
  229 1.4 14
  241 0.74 7
  255 8.5 85
  256 99.99 999
  257 16 160
//
