ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007909
RECORD_TITLE: 9-HYDROXYIMINO-6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-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$NAME: 9-HYDROXYIMINO-6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N₃O₄
CH$EXACT_MASS: 265.10626
CH$SMILES: CCOC(=O)C(=C2)C(=O)N(C(C)1)C(=N2)C(=NO)CC1
CH$IUPAC: InChI=1S/C12H15N3O4/c1-3-19-12(17)8-6-13-10-9(14-18)5-4-7(2)15(10)11(8)16/h6-7,18H,3-5H2,1-2H3/b14-9+
CH$LINK: INCHIKEY VWYJPUYRCOGBKZ-NTEUORMPSA-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$SPLASH: splash10-0gbc-5980000000-d17feabb964009254e60
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  39 8 80
  41 11 110
  42 5.5 55
  52 0.5 5
  53 31 310
  54 12 120
  55 23 230
  66 0.6 6
  67 8.5 85
  68 10 100
  69 16 160
  81 0.7 7
  92 5 50
  93 6 60
  94 6.4 64
  95 0.55 6
  96 11.5 115
  107 7.5 75
  119 4 40
  120 0.48 5
  121 4.2 42
  123 4.4 44
  125 4.2 42
  133 0.53 5
  134 11 110
  135 8 80
  146 6.5 65
  147 0.65 7
  148 8.8 88
  151 5.7 57
  160 3.9 39
  161 0.51 5
  162 9 90
  163 11.5 115
  167 3.9 39
  173 0.32 3
  174 6.6 66
  175 4.2 42
  176 5 50
  188 0.45 5
  189 2.3 23
  190 5.6 56
  191 99.99 999
  192 1.2 12
  193 35.4 354
  194 5.8 58
  202 38 380
  203 0.85 9
  204 4.6 46
  218 3.7 37
  219 47 470
  220 5.22 52
  221 9.4 94
  234 2 20
  236 5.7 57
  237 3.2 32
  238 4 40
  248 12.1 121
  249 11 110
  250 0.36 4
  264 3.1 31
  265 77.5 775
  266 11.4 114
  267 1.2 12
//