MassBank Record: JP000010



 2,4,6-TRICHLOROPHENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000010
RECORD_TITLE: 2,4,6-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$NAME: 2,4,6-TRICHLOROPHENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H3Cl3O CH$EXACT_MASS: 195.92495 CH$SMILES: Clc(c1)cc(Cl)c(O)c(Cl)1 CH$IUPAC: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/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$SPLASH: splash10-0002-7900000000-85483ea8168873178de9 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 53 14.63 146 55 2.49 25 57 2.2 22 60 12.21 122 61 32.06 321 62 42.22 422 63 36.9 369 64 4.32 43 65 8.43 84 66 23 230 67 12.65 127 68 2.71 27 71 6.78 68 72 13.68 137 73 17.64 176 74 8.84 88 75 5.57 56 80 9.94 99 81 8.84 88 82 4.21 42 83 8.62 86 84 6.16 62 85 5.83 58 87 3.92 39 89 2.2 22 90 2.89 29 91 2.09 21 95 4.84 48 96 34.11 341 97 70.76 708 98 39.72 397 99 38.18 382 100 10.63 106 101 2.64 26 106 2.45 25 107 9.09 91 108 3.77 38 109 7.22 72 111 2.23 22 125 3.44 34 126 8.91 89 127 2.05 21 128 3.52 35 131 18.48 185 132 57.96 580 133 22.12 221 134 40.71 407 135 10.45 105 136 7.81 78 160 31.84 318 161 5.2 52 162 50.47 505 163 5.2 52 164 22.81 228 166 5.57 56 167 4.1 41 168 2.56 26 169 3.63 36 195 3.59 36 196 99.99 999 197 9.68 97 198 91.34 913 199 7.07 71 200 28.42 284 201 2.09 21 202 3.04 30 //