MassBank Record: JP000466



 3,5-DIMETHYLPYRAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000466
RECORD_TITLE: 3,5-DIMETHYLPYRAZOLE; 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$NAME: 3,5-DIMETHYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8N2 CH$EXACT_MASS: 96.06875 CH$SMILES: Cc(n1)cc(C)n1 CH$IUPAC: InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
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$SPLASH: splash10-0002-9000000000-15c8972e9d9dbae9ee60 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 26 4 40 27 11.4 114 28 16.3 163 29 0.49 5 30 2.9 29 37 1.2 12 38 3.6 36 39 2.22 22 40 7 70 41 21.2 212 42 16.7 167 43 0.69 7 50 1.6 16 51 3.4 34 52 4.2 42 53 0.35 4 54 21.6 216 55 9.9 99 56 4.3 43 57 0.38 4 62 1.4 14 63 2.7 27 64 0.7 7 65 0.61 6 66 2.9 29 67 5.4 54 68 6.9 69 69 0.44 4 70 1.1 11 71 1.9 19 73 1.2 12 78 0.11 1 79 1.6 16 81 17.3 173 82 1.8 18 83 0.21 2 93 0.8 8 94 1.9 19 95 72 720 96 99.99 999 97 6.4 64 98 0.4 4 //