ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004470
RECORD_TITLE: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-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$NAME: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O₃
CH$EXACT_MASS: 208.08479
CH$SMILES: OC(=O)C(=C1)C(=O)N(C(C)2)C(CCC2)=N1
CH$IUPAC: InChI=1S/C10H12N2O3/c1-6-3-2-4-8-11-5-7(10(14)15)9(13)12(6)8/h5-6H,2-4H2,1H3,(H,14,15)
CH$LINK: CAS 32092-24-3
CH$LINK: INCHIKEY KOXNRJHZWXSKMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10953977

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 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ox-1900000000-0bcd19ce4aaab46dad13
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  52 3 30
  53 12 120
  54 6 60
  55 0.8 8
  66 4 40
  67 7 70
  68 11 110
  69 1 10
  70 8 80
  78 5 50
  79 3 30
  80 0.5 5
  81 5 50
  82 5 50
  93 4 40
  94 0.8 8
  95 7 70
  96 6 60
  106 6 60
  107 1.4 14
  108 12 120
  109 4 40
  110 10 100
  111 0.2 2
  119 3 30
  120 2 20
  121 8 80
  122 0.3 3
  123 4 40
  133 13 130
  134 31 310
  135 1 10
  136 37 370
  137 3 30
  149 10 100
  154 0.3 3
  161 5 50
  162 29 290
  163 68 680
  164 9 90
  165 9 90
  175 26 260
  189 14 140
  190 99.99 999
  191 13 130
  208 19 190
  209 2 20
//