ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005048
RECORD_TITLE: 1-ACETYL-3-(4-NITROPHENYL)-4-(2-PYRIDYL)-2-PYRAZOLINE; 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$NAME: 1-ACETYL-3-(4-NITROPHENYL)-4-(2-PYRIDYL)-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14N4O3
CH$EXACT_MASS: 310.10659
CH$SMILES: [O-1][N+1](=O)c(c3)ccc(c3)C(=N2)C(CN(C(C)=O)2)c(c1)nccc1
CH$IUPAC: InChI=1S/C16H14N4O3/c1-11(21)19-10-14(15-4-2-3-9-17-15)16(18-19)12-5-7-13(8-6-12)20(22)23/h2-9,14H,10H2,1H3
CH$LINK: INCHIKEY YQDAFIMRFPGXTQ-UHFFFAOYSA-N
AC$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-9100000000-64c82d6a0adfd2712178
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  78 11.3 113
  79 99.99 999
  92 2 20
  119 0.83 8
  144 2.2 22
  190 13 130
  191 3.5 35
  232 0.43 4
  267 2.4 24
  310 6.9 69
//
