MassBank Record: JP002014



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

ACCESSION: JP002014
RECORD_TITLE: 3-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$NAME: 3-CHLORO-1-PHENYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H7ClN2 CH$EXACT_MASS: 178.02978 CH$SMILES: Clc(c2)nn(c2)c(c1)cccc1 CH$IUPAC: InChI=1S/C9H7ClN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/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$SPLASH: splash10-004i-6900000000-7b9d616215fc2c4ec603 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 26 4 40 27 9.2 92 28 4.7 47 36 0.18 2 38 10.7 107 39 24.1 241 40 6.2 62 41 0.24 2 47 2.8 28 49 1.6 16 50 15.8 158 51 5.53 55 52 15.6 156 53 1.7 17 61 1.7 17 62 0.64 6 63 15.1 151 640 11.1 111 65 10.2 102 66 0.22 2 71 2.5 25 71.5 1.7 17 72 2.6 26 73 0.36 4 74 5 50 75 8.1 81 76 6.2 62 77 6.46 65 78 7.5 75 88 2.6 26 89 21.7 217 90 1.19 12 91 3.9 39 102 1.4 14 103 2 20 104 0.85 9 114 3.2 32 115 11.3 113 116 45.4 454 117 0.9 9 124 6.2 62 126 1.5 15 141 1.7 17 142 1.87 19 143 36.2 362 144 4.3 43 151 6.8 68 152 0.7 7 153 2.7 27 154 2.2 22 177 1.8 18 178 99.99 999 179 12.4 124 180 33.3 333 181 3.9 39 //