MassBank Record: JP000470



 3,4,5-TRIMETHYLPYRAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000470
RECORD_TITLE: 3,4,5-TRIMETHYLPYRAZOLE; 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$NAME: 3,4,5-TRIMETHYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10N2 CH$EXACT_MASS: 110.08440 CH$SMILES: Cc(n1)c(C)c(C)n1 CH$IUPAC: InChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h1-3H3,(H,7,8)
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$SPLASH: splash10-0bta-9600000000-f3c02aad5315e65db6ed PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 26 2 20 27 8.3 83 28 6.4 64 29 0.2 2 30 3.1 31 38 1.6 16 39 11.9 119 40 0.46 5 41 17.6 176 42 25.1 251 43 5.9 59 45 0.09 1 50 1.5 15 51 3.7 37 52 5.8 58 53 0.58 6 54 17.6 176 55 5.8 58 56 2.4 24 57 0.29 3 60 1.1 11 65 3.4 34 66 3.5 35 67 0.38 4 68 25.4 254 69 9.3 93 70 1.5 15 71 0.16 2 77 2 20 78 1 10 79 2.6 26 80 0.17 2 81 4.9 49 82 2.9 29 83 1.9 19 94 0.09 1 95 53.9 539 96 22.8 228 97 2.3 23 98 0.12 1 108 2.4 24 109 99.99 999 110 86.6 866 111 0.66 7 112 0.5 5 //