ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005049
RECORD_TITLE: 1-ACETYL-4-(4-NITROPHENYL)-3-(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$NAME: 1-ACETYL-4-(4-NITROPHENYL)-3-(2-PYRIDYL)-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14N4O3
CH$EXACT_MASS: 310.10659
CH$SMILES: [O-1][N+1](=O)c(c3)ccc(c3)C(C2)C(=NN(C(C)=O)2)c(c1)nccc1
CH$IUPAC: InChI=1S/C16H14N4O3/c1-11(21)19-10-14(12-5-7-13(8-6-12)20(22)23)16(18-19)15-4-2-3-9-17-15/h2-9,14H,10H2,1H3
CH$LINK: INCHIKEY CKZKCYBBQJYRIL-UHFFFAOYSA-N
AC$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-9030000000-1df64239f60f8a561b04
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  78 99.99 999
  79 7.1 71
  81 2.6 26
  83 0.54 5
  85 4 40
  97 4.1 41
  105 2.2 22
  193 0.2 2
  221 2.3 23
  267 19.3 193
  268 22.6 226
  310 5.7 57
//
