ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004461
RECORD_TITLE: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETICACID; 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$NAME: 4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETICACID
CH$NAME: 3-CARBOXYMETHYL-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈N₂O₃
CH$EXACT_MASS: 204.05349
CH$SMILES: OC(=O)CC(=C1)C(=O)N(C=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C10H8N2O3/c13-9(14)5-7-6-11-8-3-1-2-4-12(8)10(7)15/h1-4,6H,5H2,(H,13,14)
CH$LINK: INCHIKEY RFQRASOBVQPNQC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:71439282

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$SPLASH: splash10-0a6r-7900000000-3849533bb1652cc70529
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  38 4 40
  39 10.6 106
  44 2.5 25
  45 0.28 3
  50 3.4 34
  51 18.7 187
  52 9.7 97
  53 0.31 3
  55 21.8 218
  64 1.8 18
  65 2.2 22
  65.5 0.15 2
  66 1.2 12
  75 0.9 9
  76 2.2 22
  77 0.25 3
  78 78.1 781
  79 21.9 219
  80 1.6 16
  94 0.09 1
  104 1.4 14
  105 15.6 156
  106 1.2 12
  130 0.19 2
  131 25 250
  132 14 140
  133 1.4 14
  158 0.09 1
  159 99.99 999
  160 62.5 625
  161 6.2 62
  175 0.06 1
  186 0.6 6
  204 3.4 34
  205 4.1 41
//