MassBank Record: JP002025



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

ACCESSION: JP002025
RECORD_TITLE: 5-METHYL-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$NAME: 5-METHYL-1-PHENYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10N2 CH$EXACT_MASS: 158.08440 CH$SMILES: Cc(c2)n(nc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C10H10N2/c1-9-7-8-11-12(9)10-5-3-2-4-6-10/h2-8H,1H3
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$SPLASH: splash10-0a4i-9700000000-9753400cbfa745ee62fd PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 26 3.7 37 27 14.6 146 28 8.4 84 29 0.15 2 37 1.7 17 38 6 60 39 20 200 40 0.56 6 41 6.2 62 42 5.1 51 43 1.5 15 50 1.06 11 51 45.3 453 52 10.2 102 53 5 50 54 0.49 5 55 5 50 62 2.3 23 63 9.4 94 64 0.86 9 65 9.8 98 66 7 70 67 1.8 18 74 0.22 2 75 2.7 27 76 4.7 47 77 64.7 647 78 1.14 11 79 4 40 81 6 60 89 8.6 86 90 1.56 16 91 8 80 92 2.8 28 93 10.6 106 102 0.18 2 103 5.7 57 104 6.8 68 105 1.7 17 106 0.18 2 115 3.8 38 116 6.4 64 117 9 90 118 0.68 7 119 1.2 12 128 2.9 29 129 3.6 36 130 3.67 37 131 5.4 54 132 3.5 35 142 3.3 33 143 0.65 7 144 4.4 44 145 2.8 28 154 1.7 17 155 0.23 2 156 5.4 54 157 59.4 594 158 99.99 999 159 1.19 12 160 1.4 14 //