MassBank Record: JP000009



 2,4,5-TRICHLOROPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000009
RECORD_TITLE: 2,4,5-TRICHLOROPHENOL; 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$NAME: 2,4,5-TRICHLOROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H3Cl3O CH$EXACT_MASS: 195.92495 CH$SMILES: Oc(c1)c(Cl)cc(Cl)c(Cl)1 CH$IUPAC: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
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$SPLASH: splash10-0002-7900000000-1ad962df00ced72b9a73 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 51 2.58 26 53 14.73 147 59 2.03 20 60 12.75 128 61 30.62 306 62 36.79 368 63 19.11 191 64 2.15 22 65 5.23 52 66 13.42 134 67 7.46 75 69 2.46 25 71 6.55 66 72 13.85 139 73 16.02 160 74 7.55 76 75 4.47 45 79 2.34 23 80 8.06 81 81 5.21 52 82 3.22 32 83 7.1 71 84 6.05 61 85 6.38 64 86 2.53 25 87 3.44 34 89 1.93 19 95 3.8 38 96 33.63 336 97 67.27 673 98 25.02 250 99 31.7 317 100 5.86 59 106 2.03 20 107 8.66 87 108 3.94 39 109 6.55 66 131 12.51 125 132 48.06 481 133 32 320 134 33.42 334 135 18.37 184 136 6.55 66 137 2.96 30 149 6.48 65 151 3.39 34 160 10.69 107 161 4.76 48 162 10.76 108 163 3.58 36 164 3.61 36 167 4.06 41 169 3.89 39 177 4.76 48 179 2.94 29 192 6.69 67 194 4.64 46 195 6.79 68 196 99.99 999 197 11.45 115 198 92.58 926 199 7.82 78 200 29.54 295 201 2.08 21 202 3.15 32 //