ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004482
RECORD_TITLE: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC 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$NAME: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄N₂O₃
CH$EXACT_MASS: 222.10044
CH$SMILES: OC(=O)CC(=C1)C(=O)N(C(C)2)C(CCC2)=N1
CH$IUPAC: InChI=1S/C11H14N2O3/c1-7-3-2-4-9-12-6-8(5-10(14)15)11(16)13(7)9/h6-7H,2-5H2,1H3,(H,14,15)
CH$LINK: CAS 54554-63-1
CH$LINK: INCHIKEY QNQLQKRDBLQOEZ-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$SPLASH: splash10-004i-3900000000-fbb11482f5927e8c3a6f
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  39 23.3 233
  41 21.7 217
  42 6 60
  44 0.43 4
  53 7.3 73
  54 11 110
  55 30 300
  67 0.57 6
  69 5.3 53
  79 4.7 47
  80 5 50
  82 1.33 13
  94 3.7 37
  95 4 40
  96 6 60
  108 0.33 3
  122 14 140
  123 33.3 333
  124 40 400
  133 0.43 4
  135 16.7 167
  136 7.7 77
  137 3.7 37
  147 0.47 5
  148 4 40
  149 10 100
  150 8.3 83
  161 0.73 7
  162 2 20
  163 28.3 283
  164 3.2 32
  175 0.87 9
  176 16.7 167
  177 48.3 483
  178 99.99 999
  179 1.2 12
  180 1.2 12
  189 1.2 12
  204 2.3 23
  205 0.13 1
  221 1 10
  222 3 30
  223 0.5 5
//