ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000444
RECORD_TITLE: 1-ACETYL-3-(4-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$NAME: 1-ACETYL-3-(4-PYRIDYL)-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11N3O
CH$EXACT_MASS: 189.09021
CH$SMILES: CC(=O)N(C2)N=C(C2)c(c1)ccnc1
CH$IUPAC: InChI=1S/C10H11N3O/c1-8(14)13-7-4-10(12-13)9-2-5-11-6-3-9/h2-3,5-6H,4,7H2,1H3
CH$LINK: INCHIKEY VDHRBRSJHARSSG-UHFFFAOYSA-N
AC$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: splash10-0002-0900000000-0d684b6cb88e1ef2746b
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  77 4 40
  91 4.3 43
  105 2.1 21
  117 0.23 2
  118 4.3 43
  119 2.3 23
  146 49.2 492
  147 99.99 999
  148 6.5 65
  189 20.7 207
//
