MassBank Record: JP000023



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

ACCESSION: JP000023
RECORD_TITLE: 3-CHLOROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 3-CHLOROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H5ClO CH$EXACT_MASS: 128.00289 CH$SMILES: Oc(c1)cc(Cl)cc1 CH$IUPAC: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-7900000000-14ad7674ba33dd1838a4 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 51 2.73 27 53 5.61 56 61 4.55 46 62 6.96 70 63 19.06 191 64 29.67 297 65 43.03 430 66 5.38 54 73 6.41 64 74 3.12 31 75 3.89 39 92 7.11 71 93 5.18 52 94 5.66 57 99 7.85 79 100 13.63 136 101 3.14 31 102 4.52 45 127 16.26 163 128 99.99 999 129 10.75 108 130 28.84 288 131 2.12 21 //