MassBank Record: JP002010



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

ACCESSION: JP002010
RECORD_TITLE: 1-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$NAME: 1-ALLYL-3,5-DIMETHYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12N2 CH$EXACT_MASS: 136.10005 CH$SMILES: C=CCn(n1)c(C)c([H])c(C)1 CH$IUPAC: InChI=1S/C8H12N2/c1-4-5-10-8(3)6-7(2)9-10/h4,6H,1,5H2,2-3H3
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$SPLASH: splash10-000i-9500000000-2fa7d8cfb9bccb0ee91c PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 26 3.5 35 27 15.9 159 28 15.9 159 38 0.38 4 39 49.4 494 40 13 130 41 40.8 408 42 3.21 32 51 3.6 36 52 5.8 58 53 8.6 86 54 1.3 13 55 8.4 84 65 8.2 82 66 8.2 82 67 0.82 8 68 13 130 69 2.3 23 79 3 30 80 0.87 9 81 5.3 53 82 6.5 65 83 1.4 14 91 0.12 1 92 2.1 21 93 4.2 42 94 11.9 119 95 2.19 22 96 8.4 84 107 3 30 108 17.4 174 109 5.68 57 110 4.8 48 120 1.1 11 121 13 130 122 0.1 1 133 1.4 14 134 3 30 135 99.99 999 136 6.3 63 137 6.1 61 //