MassBank Record: JP000027



 4-AMINO-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$IUPAC: InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
AC$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 //