MassBank Record: JP002016



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

ACCESSION: JP002016
RECORD_TITLE: 5-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$NAME: 5-CHLORO-1-PHENYLPYRAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H7ClN2 CH$EXACT_MASS: 178.02978 CH$SMILES: Clc(c2)n(nc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C9H7ClN2/c10-9-6-7-11-12(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$SPLASH: splash10-004i-8900000000-c9a9d968ce901e9c838a PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 26 2.1 21 27 9.5 95 28 4.6 46 36 0.16 2 37 2.8 28 38 7.6 76 39 13.8 138 40 0.42 4 41 1.6 16 47 1.5 15 49 1.2 12 50 1.73 17 51 62.1 621 52 7.3 73 60 2.1 21 61 0.14 1 62 4.6 46 63 9.7 97 64 6.4 64 65 0.98 10 66 4.3 43 67 1.2 12 71 1.8 18 715 0.12 1 73 3.7 37 74 5.5 55 75 10 100 76 0.62 6 77 70.7 707 78 9.7 97 86 1.2 12 87 0.11 1 88 2.7 27 89 20.1 201 90 7.8 78 91 0.3 3 102 1.3 13 103 1.1 11 104 9.8 98 114 0.24 2 115 7.9 79 116 46 460 117 7.6 76 124 0.38 4 126 1.3 13 142 8.5 85 143 38 380 144 0.45 5 150 1.1 11 151 8.1 81 152 8.6 86 153 0.33 3 154 2.8 28 177 1.7 17 178 99.99 999 179 1.21 12 180 33.3 333 181 3.9 39 //