MassBank Record: JP002011



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

ACCESSION: JP002011
RECORD_TITLE: 4-ALLYL-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$NAME: 4-ALLYL-3,5-DIMETHYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12N2 CH$EXACT_MASS: 136.10005 CH$SMILES: C=CCc(c(C)1)c(C)nn1 CH$IUPAC: InChI=1S/C8H12N2/c1-4-5-8-6(2)9-10-7(8)3/h4H,1,5H2,2-3H3,(H,9,10)
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$SPLASH: splash10-052u-9800000000-b19420574f0f52f21ac2 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 26 4.5 45 27 22.1 221 28 15.6 156 29 0.48 5 30 3 30 31 1.7 17 38 2.9 29 39 2.8 28 40 8.7 87 41 28 280 42 60.8 608 43 0.87 9 50 3.7 37 51 10 100 52 15.6 156 53 1.96 20 54 6.8 68 55 8.1 81 56 4 40 57 0.52 5 60 3.3 33 63 4 40 64 1.8 18 65 0.1 1 66 9 90 67 12.2 122 68 25.5 255 69 0.63 6 70 1.5 15 71 2.1 21 73 2.5 25 77 0.87 9 78 4.7 47 79 5.5 55 80 19.3 193 81 0.6 6 82 3 30 83 3.5 35 84 1.2 12 85 0.14 1 91 6.6 66 92 4.3 43 93 5.2 52 94 3.74 37 95 15.3 153 96 3.3 33 97 2.2 22 104 0.28 3 105 2.5 25 106 4 40 107 3.2 32 108 0.69 7 109 94.4 944 110 8.4 84 111 1.1 11 118 0.25 3 119 4.3 43 120 3.4 34 121 38.3 383 122 0.38 4 133 2.5 25 134 2.1 21 135 34.6 346 136 99.99 999 137 9.6 96 //