ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004479
RECORD_TITLE: 6-METHYL-4-OXO-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$NAME: 6-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀N₂O₃
CH$EXACT_MASS: 218.06914
CH$SMILES: OC(=O)CC(=C1)C(=O)N(C(C)=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C11H10N2O3/c1-7-3-2-4-9-12-6-8(5-10(14)15)11(16)13(7)9/h2-4,6H,5H2,1H3,(H,14,15)
CH$LINK: INCHIKEY XIXNFCBRYVASGT-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$SPLASH: splash10-00xr-6920000000-0d69537282cf696cbad0
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  38 5.5 55
  39 28.9 289
  40 3.8 38
  41 0.45 5
  42 2.4 24
  43 2.1 21
  44 6.4 64
  45 0.42 4
  50 2.9 29
  51 4.2 42
  52 5.5 55
  53 0.41 4
  54 3.1 31
  55 14.8 148
  57 2.4 24
  60 0.17 2
  63 4.5 45
  64 7.6 76
  65 41.4 414
  66 1.14 11
  67 2.1 21
  69 8.9 89
  72 2.8 28
  72.5 0.31 3
  73 1.7 17
  75 1 10
  76 2.1 21
  77 0.24 2
  78 2.1 21
  81 1.4 14
  91 8.3 83
  92 8.62 86
  93 24.1 241
  94 2.1 21
  95 1.7 17
  116 0.14 1
  117 3.6 36
  118 3.3 33
  119 12.4 124
  120 0.17 2
  131 2.8 28
  143 12.4 124
  144 4.8 48
  145 5.17 52
  146 31 310
  147 3.4 34
  159 2.8 28
  171 0.12 1
  172 31 310
  173 99.99 999
  174 51.7 517
  175 0.62 6
  176 0.8 8
  189 2.4 24
  200 7.2 72
  201 0.14 1
  217 1.4 14
  218 62.1 621
  219 14.1 141
  220 1.4 14
//