MassBank Record: JP002029



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

ACCESSION: JP002029
RECORD_TITLE: 3,5-DIMETHYL-1-PHENYLPYRAZOLE; 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$NAME: 3,5-DIMETHYL-1-PHENYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12N2 CH$EXACT_MASS: 172.10005 CH$SMILES: Cc(c2)nn(c(C)2)c(c1)cccc1 CH$IUPAC: InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3
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$SPLASH: splash10-00di-6900000000-7f3ef51da05f0d6201bb PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 26 2.1 21 27 10.2 102 28 5.8 58 38 0.39 4 39 25 250 40 7.1 71 41 9.4 94 43 0.18 2 50 6 60 51 36.5 365 52 6 60 53 0.28 3 54 4.8 48 55 2.1 21 62 1.4 14 63 0.73 7 64 8.5 85 65 10.8 108 65.5 1 10 66 0.45 5 67 2.6 26 68 1.5 15 69 1.2 12 73 0.1 1 74 1 10 75 1.9 19 76 4.4 44 77 6.09 61 78 8.7 87 79 1 10 86 2.9 29 89 0.69 7 90 5.6 56 91 7.1 71 92 1.4 14 95 0.77 8 102 1.9 19 103 8.7 87 104 5.8 58 105 0.1 1 115 1.9 19 116 4.4 44 117 3.3 33 118 1.1 11 119 1.1 11 128 3.3 33 129 3.5 35 130 3.85 39 131 6.8 68 132 1.3 13 142 1.9 19 143 0.16 2 144 8.7 87 145 1.4 14 154 8.1 81 155 0.94 9 156 5.8 58 157 11.6 116 158 1.6 16 169 0.18 2 170 3.5 35 171 69.3 693 172 99.99 999 173 13 130 //