MassBank Record: JP000407



 3-ETHYL-1-ISOPROPYL-2-PYRAZOLINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000407
RECORD_TITLE: 3-ETHYL-1-ISOPROPYL-2-PYRAZOLINE; 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$NAME: 3-ETHYL-1-ISOPROPYL-2-PYRAZOLINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16N2 CH$EXACT_MASS: 140.13135 CH$SMILES: CCC(C1)=NN(C1)C(C)C CH$IUPAC: InChI=1S/C8H16N2/c1-4-8-5-6-10(9-8)7(2)3/h7H,4-6H2,1-3H3
AC$INSTRUMENT: SHIMADZU LKB-2091 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-7900000000-721c058773ea35696329 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 26 0.7 7 27 6.4 64 29 3.3 33 30 0.13 1 39 3.8 38 41 8.1 81 42 12.1 121 43 0.33 3 52 0.4 4 53 1 10 54 4.3 43 55 0.18 2 56 31 310 57 1.1 11 67 0.4 4 68 0.17 2 69 3.6 36 70 2.7 27 81 0.6 6 82 0.11 1 83 4 40 84 0.4 4 95 0.6 6 96 0.04 0 97 7.6 76 98 0.8 8 110 0.5 5 111 0.06 1 123 0.6 6 124 0.6 6 125 99.99 999 126 0.8 8 139 1.2 12 140 13.3 133 141 1.3 13 //