MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007902

1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007902
RECORD_TITLE: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID METHYL 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

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CH$NAME: 1-OXO-1H-PYRIMIDO(1,2-A)QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₀N₂O₃
CH$EXACT_MASS: 254.06914
CH$SMILES: COC(=O)C(=C3)C(=O)N(C1=N3)c(c2)c(ccc2)C=C1
CH$IUPAC: InChI=1S/C14H10N2O3/c1-19-14(18)10-8-15-12-7-6-9-4-2-3-5-11(9)16(12)13(10)17/h2-8H,1H3
CH$LINK: INCHIKEY RUCUMXZHBMUJIL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:620250

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0ufr-2980000000-e07c69cac4e72687c185
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  64 15 150
  69 20 200
  77 8.4 84
  101 1.5 15
  128 72 720
  129 20 200
  148 7 70
  155 0.48 5
  168 28 280
  169 7.9 79
  194 3.4 34
  195 3.1 31
  196 8.4 84
  223 22 220
  224 3.8 38
  226 2.4 24
  239 3.1 31
  240 1.1 11
  254 99.99 999
  255 17 170
//