MassBank Record: JP002019



 4-ALLYL-1,3,5-TRIMETHYLPYRAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002019
RECORD_TITLE: 4-ALLYL-1,3,5-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$NAME: 4-ALLYL-1,3,5-TRIMETHYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H14N2 CH$EXACT_MASS: 150.11570 CH$SMILES: C=CCc(c(C)1)c(C)n(C)n1 CH$IUPAC: InChI=1S/C9H14N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5H,1,6H2,2-4H3
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$SPLASH: splash10-0kmr-7900000000-7d30fc99e08377407369 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 26 1.6 16 27 12.8 128 28 10.8 108 29 0.38 4 30 2.4 24 38 1.9 19 39 17.9 179 40 0.46 5 41 11.7 117 42 19.9 199 43 3.8 38 50 0.28 3 51 7.1 71 52 5.3 53 54 4 40 55 0.5 5 56 50.3 503 57 2 20 62 1.8 18 63 0.3 3 64 1.5 15 65 6.3 63 66 7.5 75 67 0.61 6 68 2.1 21 73 1.6 16 74 2.3 23 77 0.61 6 78 2.3 23 79 5 50 80 3.7 37 81 0.36 4 82 4.4 44 91 4.6 46 92 3.2 32 93 0.32 3 94 11.8 118 95 2.5 25 105 1 10 106 0.24 2 107 3.4 34 108 9.5 95 109 6.6 66 110 0.18 2 118 1.3 13 119 3 30 120 3.2 32 121 0.18 2 122 2.5 25 123 99.99 999 124 8.7 87 132 0.14 1 133 3.4 34 134 2 20 135 36 360 136 0.34 3 137 2.7 27 138 1.1 11 148 1.1 11 149 2.85 29 150 77.9 779 151 8.4 84 //