ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007888
RECORD_TITLE: 7-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC 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$NAME: 7-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N2O3
CH$EXACT_MASS: 246.10044
CH$SMILES: CCOC(=O)CC(=C1)C(=O)N(C=2)C(C=CC(C)2)=N1
CH$IUPAC: InChI=1S/C13H14N2O3/c1-3-18-12(16)6-10-7-14-11-5-4-9(2)8-15(11)13(10)17/h4-5,7-8H,3,6H2,1-2H3
CH$LINK: INCHIKEY VHLUXOYRWOXMSL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:599763
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$SPLASH: splash10-00di-2920000000-818b329aa0c07ecfef6b
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39 3.1 31
  55 4.8 48
  66 1.3 13
  72.5 0.15 2
  86.5 2 20
  92 15.5 155
  94 2.6 26
  119 0.4 4
  144 1 10
  145 3.5 35
  173 99.99 999
  174 1.26 13
  175 1.1 11
  201 3.7 37
  246 26.6 266
  247 3.7 37
//
