MassBank Record: JP002015



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

ACCESSION: JP002015
RECORD_TITLE: 4-CHLORO-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$NAME: 4-CHLORO-1-PHENYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H7ClN2 CH$EXACT_MASS: 178.02978 CH$SMILES: Clc(c2)cn(n2)c(c1)cccc1 CH$IUPAC: InChI=1S/C9H7ClN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
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$SPLASH: splash10-0fb9-9700000000-1eb9d77effb71d5320bc PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 26 2.4 24 27 9.4 94 28 8.3 83 36 0.17 2 37 3.3 33 38 10.4 104 39 19 190 40 0.27 3 41 1.4 14 47 3.7 37 48 3.1 31 49 0.22 2 50 16.4 164 51 65.3 653 52 9.2 92 60 0.39 4 61 1.8 18 62 5.3 53 63 13.4 134 64 0.87 9 65 5.7 57 66 1.9 19 73 2.6 26 74 0.96 10 75 6.8 68 76 7.2 72 77 85.1 851 78 0.75 8 86 1.6 16 87 1.4 14 88 3 30 89 2.56 26 90 14.1 141 91 7.7 77 102 1 10 103 0.14 1 104 10.2 102 105 1.1 11 114 3.1 31 115 1.87 19 116 22 220 117 9 90 118 7.7 77 123 0.19 2 124 6.4 64 125 1.5 15 126 2.2 22 142 0.89 9 143 19.9 199 144 9 90 150 3.3 33 151 0.75 8 152 13.9 139 153 3.6 36 154 4.5 45 177 0.31 3 178 99.99 999 179 12.8 128 180 33.3 333 181 4 40 //