ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004480
RECORD_TITLE: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL 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$NAME: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀N₂O₃
CH$EXACT_MASS: 218.06914
CH$SMILES: CCOC(=O)C(=C1)C(=O)N(C=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C11H10N2O3/c1-2-16-11(15)8-7-12-9-5-3-4-6-13(9)10(8)14/h3-7H,2H2,1H3
CH$LINK: INCHIKEY LURYFDMBWJWDQH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50325790

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$SPLASH: splash10-01dj-5920000000-62aad06f8f1bc860a4dd
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39 8.2 82
  50 3.2 32
  51 19.1 191
  52 0.91 9
  53 16.2 162
  63 6.5 65
  64 5 50
  65 0.15 2
  66 2.9 29
  67 0.9 9
  68 0.9 9
  72.5 0.12 1
  76 1.8 18
  77 2.6 26
  78 99.99 999
  79 2.06 21
  80 0.9 9
  90 12.4 124
  91 3.2 32
  104 0.09 1
  105 39.7 397
  106 2.4 24
  116 0.3 3
  117 0.47 5
  118 41.2 412
  119 3.8 38
  144 2.4 24
  145 3.24 32
  146 86.8 868
  147 8.8 88
  162 16.2 162
  163 0.18 2
  172 0.6 6
  173 88.2 882
  174 12.4 124
  175 0.18 2
  190 7.4 74
  191 1.8 18
  218 69.1 691
  219 0.88 9
  220 0.6 6
//