MassBank Record: JP000008



 3,5-DICHLOROPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000008
RECORD_TITLE: 3,5-DICHLOROPHENOL; 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$NAME: 3,5-DICHLOROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4Cl2O CH$EXACT_MASS: 161.96392 CH$SMILES: Oc(c1)cc(Cl)cc(Cl)1 CH$IUPAC: InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
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$SPLASH: splash10-03di-6900000000-4af936cc228fde5d0777 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 51 1.24 12 53 4.19 42 60 3.61 36 61 8.59 86 62 16.38 164 63 31.53 315 64 4.94 49 72 4.88 49 73 10.01 100 74 4.53 45 75 3.92 39 81 6.85 69 82 4.37 44 83 2.46 25 97 7.3 73 98 27.86 279 99 28.43 284 100 10.31 103 101 9.88 99 126 8.1 81 127 4.51 45 128 3.3 33 133 4.08 41 134 6.58 66 135 2.96 30 136 4.15 42 161 3.31 33 162 99.99 999 163 8.57 86 164 60.06 601 165 4.43 44 166 9.68 97 //