ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004389
RECORD_TITLE: 1-ACETYL-4-(2-PYRIDYL)-2-PYRAZOLINE-3-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
CH$NAME: 1-ACETYL-4-(2-PYRIDYL)-2-PYRAZOLINE-3-CARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13N3O3
CH$EXACT_MASS: 247.09569
CH$SMILES: COC(=O)C(=N2)C(CN(C(C)=O)2)c(c1)nccc1
CH$IUPAC: InChI=1S/C12H13N3O3/c1-8(16)15-7-9(10-5-3-4-6-13-10)11(14-15)12(17)18-2/h3-6,9H,7H2,1-2H3
CH$LINK: INCHIKEY HEXTXACJHZYMDZ-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9300000000-01c395aa097fb19683ef
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  78 12.6 126
  79 99.99 999
  80 40.7 407
  92 0.32 3
  95 20.8 208
  117 12.6 126
  118 9.6 96
  119 2.07 21
  127 33.3 333
  146 7.4 74
  169 5.2 52
  172 0.55 6
  204 8.1 81
  246 4.6 46
  247 2.4 24
//
