MassBank Record: JP000007



 2,4-DICHLOROPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000007
RECORD_TITLE: 2,4-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$NAME: 2,4-DICHLOROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4Cl2O CH$EXACT_MASS: 161.96392 CH$SMILES: Oc(c1)c(Cl)cc(Cl)c1 CH$IUPAC: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/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$SPLASH: splash10-03di-9600000000-4fa477756aa23b7adcc6 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 51 3.07 31 53 12.34 123 60 6.21 62 61 19.31 193 62 35.08 351 63 99.99 999 64 10.24 102 66 2.25 23 71 3.05 31 72 10.59 106 73 19.52 195 74 8.59 86 75 6.44 64 81 6.82 68 82 4.45 45 83 2.77 28 84 2.03 20 91 2.34 23 96 3.78 38 97 31.79 318 98 38.03 380 99 21.59 216 100 13.06 131 101 4.67 47 125 4.82 48 126 20.32 203 127 3.76 38 128 7.38 74 133 4.02 40 134 2.72 27 135 2.64 26 161 19.22 192 162 94.19 942 163 15.34 153 164 55.32 553 165 5.54 55 166 9.19 92 //