MassBank Record: JP000003



 3,4-DICHLOROPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000003
RECORD_TITLE: 3,4-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$NAME: 3,4-DICHLOROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4Cl2O CH$EXACT_MASS: 161.96392 CH$SMILES: Oc(c1)cc(Cl)c(Cl)c1 CH$IUPAC: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/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$SPLASH: splash10-03di-7900000000-e1e170f3a5ca7a8cc125 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 51 2.25 23 53 6.4 64 60 4.13 41 61 9.78 98 62 20.36 204 63 32.41 324 64 5.58 56 71 2.16 22 72 8.31 83 73 13.57 136 74 6.23 62 75 5.23 52 81 8.28 83 82 5.27 53 83 2.81 28 91 2.06 21 97 6.25 63 98 25.55 256 99 33.74 337 100 9.84 98 101 12.32 123 107 2.31 23 109 2.08 21 126 7.67 77 127 3.67 37 128 2.81 28 133 5.09 51 134 7.44 74 135 3.61 36 136 4.75 48 161 3.6 36 162 99.99 999 163 8.7 87 164 62.28 623 165 4.54 45 166 9.78 98 //