MassBank Record: JP002022



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

ACCESSION: JP002022
RECORD_TITLE: 1-BUTYL-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$NAME: 1-BUTYL-3,5-DIMETHYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16N2 CH$EXACT_MASS: 152.13135 CH$SMILES: CCCCn(n1)c(C)c([H])c(C)1 CH$IUPAC: InChI=1S/C9H16N2/c1-4-5-6-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3
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$SPLASH: splash10-0a4i-9700000000-7a7262a265094e24d4b5 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 27 11.4 114 28 9.3 93 29 10 100 30 0.18 2 38 1.3 13 39 20 200 40 5.9 59 41 2.93 29 42 25.2 252 43 3.5 35 51 1.4 14 53 0.66 7 54 5.9 59 55 7.5 75 56 4.3 43 57 0.18 2 65 3.1 31 66 3.8 38 67 3.2 32 68 1 10 69 2.9 29 79 3.1 31 80 3 30 81 0.34 3 82 5.5 55 83 1.1 11 95 21.2 212 96 4.98 50 97 9.6 96 108 2.5 25 109 99.99 999 110 1.89 19 111 1.2 12 123 1.3 13 137 10.6 106 138 0.47 5 151 1.3 13 152 26.6 266 153 3 30 //