ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004493
RECORD_TITLE: 9-HYDROXY-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER; 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$NAME: 9-HYDROXY-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀N₂O₄
CH$EXACT_MASS: 234.06406
CH$SMILES: CCOC(=O)C(=C2)C(=O)N(C=1)C(=N2)C(O)=CC1
CH$IUPAC: InChI=1S/C11H10N2O4/c1-2-17-11(16)7-6-12-9-8(14)4-3-5-13(9)10(7)15/h3-6,14H,2H2,1H3
CH$LINK: INCHIKEY YSOFEUXECYEGGL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70346927

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$SPLASH: splash10-01qi-6940000000-b03d63f9759907906095
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  38 6.8 68
  39 26.5 265
  41 4.4 44
  43 0.29 3
  44 20.6 206
  45 2.6 26
  51 5.9 59
  52 0.62 6
  53 19.1 191
  54 4.6 46
  55 8.8 88
  56 0.09 1
  57 1.8 18
  64 3.2 32
  65 7.4 74
  66 1.09 11
  67 6.5 65
  68 1.2 12
  69 1.2 12
  77 0.18 2
  78 7.1 71
  79 4.4 44
  80 1.2 12
  81 0.21 2
  82 4.7 47
  83 1.5 15
  93 16.2 162
  94 3.24 32
  95 7.1 71
  104 1.2 12
  105 2.4 24
  106 1.24 12
  110 23.5 235
  120 4.4 44
  121 29.4 294
  122 0.16 2
  133 2.9 29
  134 2.7 27
  135 2.6 26
  150 0.38 4
  160 13.2 132
  161 10 100
  162 54.4 544
  163 0.59 6
  175 0.9 9
  178 17.6 176
  179 1.2 12
  187 0.16 2
  188 2.1 21
  189 63.2 632
  190 9.3 93
  191 0.1 1
  205 0.6 6
  206 7.9 79
  207 0.6 6
  234 99.99 999
  235 12.6 126
  236 1.5 15
//