ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004484
RECORD_TITLE: 1,6-DIMETHYL-4-OXO-7,8-DIHYDRO-1H,4H,6H-PYRIDO(1,2-A)PYRIMIDINE-3-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$NAME: 1,6-DIMETHYL-4-OXO-7,8-DIHYDRO-1H,4H,6H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14N2O3
CH$EXACT_MASS: 222.10044
CH$SMILES: OC(=O)C(=C([H])1)C(=O)N(C(C)2)C(=C([H])CC2)N(C)1
CH$IUPAC: InChI=1S/C11H14N2O3/c1-7-4-3-5-9-12(2)6-8(11(15)16)10(14)13(7)9/h5-7H,3-4H2,1-2H3,(H,15,16)
CH$LINK: INCHIKEY FVBPWWTWFCTXFK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20346639
AC$INSTRUMENT: MX-1303
AC$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$SPLASH: splash10-00di-1490000000-08a5bfb9074efc0ed233
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  53 4 40
  54 5 50
  82 2 20
  83 0.2 2
  94 3 30
  95 3 30
  96 2 20
  99 0.2 2
  102 3 30
  108 3 30
  109 2 20
  110 0.9 9
  122 3 30
  135 3 30
  136 4 40
  148 0.6 6
  149 9 90
  150 5 50
  163 14 140
  164 0.2 2
  168 2 20
  177 12 120
  178 2 20
  181 0.4 4
  189 2 20
  193 6 60
  203 3 30
  204 0.3 3
  207 10 100
  221 13 130
  222 99.99 999
  223 10 100
//
