ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000027
RECORD_TITLE: 4-AMINO-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 4-AMINO-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE
CH$NAME: AMPYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13N3O
CH$EXACT_MASS: 203.10586
CH$SMILES: CC(=C(N)1)N(C)N(c(c2)cccc2)C(=O)1
CH$IUPAC: InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
CH$LINK: INCHIKEY RLFWWDJHLFCNIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8048860
AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a59-9010000000-c61c552ee77f1cacef28
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  51 5.6 56
  54 4.55 46
  55 6.51 65
  56 99.99 999
  57 71.95 720
  64 2.24 22
  69 6.73 67
  77 8.15 82
  81 3.39 34
  82 4.72 47
  83 37.22 372
  84 59.01 590
  85 3.73 37
  93 3.88 39
  202 4.57 46
  203 28.71 287
  204 4.16 42
//
