MassBank Record: JP000454



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

ACCESSION: JP000454
RECORD_TITLE: 3-METHYLPYRAZOLE; 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$NAME: 3-METHYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6N2 CH$EXACT_MASS: 82.05310 CH$SMILES: Cc(c1)nnc1 CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
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$SPLASH: splash10-001i-9000000000-a4e09706ac6f43181ee5 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 26 5.1 51 27 14.7 147 28 17.6 176 29 0.38 4 30 1.1 11 37 1 10 38 2.5 25 39 0.7 7 40 7.8 78 41 9.5 95 42 10.4 104 43 0.23 2 50 6.2 62 51 7.9 79 52 5.7 57 53 1.12 11 54 27.8 278 55 8.5 85 56 1.8 18 66 0.13 1 67 2.3 23 68 1.5 15 80 1.2 12 81 6.61 66 82 99.99 999 83 5.3 53 //