NAME: 2,4,5-TRICHLOROPHENOL
SYNONYM: 2,4,5-TRICHLOROPHENOL
DB#: JP000009
INCHIKEY: LHJGJYXLEPZJPM-UHFFFAOYSA-N
MW: 195.924947756
FORMULA: C6H3Cl3O
PRECURSORMZ: 0
ACCESSION: JP000009
AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
INSTRUMENT: VARIAN MAT-44
SMILES: Oc(c1)c(Cl)cc(Cl)c(Cl)1
INCHI: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
SMILES_2: [H]OC1=C([H])C(Cl)=C(Cl)C([H])=C1Cl
EXACT_MASS: 195.92495
INSTRUMENT_TYPE: EI-B
MS_LEVEL: MS1
IONIZATION_ENERGY: 70 eV
ION_TYPE: [M]+*
IONIZATION_MODE: positive
LAST_AUTO-CURATION: 1495210336033
MOLECULAR_FORMULA: C6H3Cl3O
TOTAL_EXACT_MASS: 195.924947756
NUM PEAKS: 65
51.0	2.58
53.0	14.73
59.0	2.03
60.0	12.75
61.0	30.62
62.0	36.79
63.0	19.11
64.0	2.15
65.0	5.23
66.0	13.42
67.0	7.46
69.0	2.46
71.0	6.55
72.0	13.85
73.0	16.02
74.0	7.55
75.0	4.47
79.0	2.34
80.0	8.06
81.0	5.21
82.0	3.22
83.0	7.1
84.0	6.05
85.0	6.38
86.0	2.53
87.0	3.44
89.0	1.93
95.0	3.8
96.0	33.63
97.0	67.27
98.0	25.02
99.0	31.7
100.0	5.86
106.0	2.03
107.0	8.66
108.0	3.94
109.0	6.55
131.0	12.51
132.0	48.06
133.0	32.0
134.0	33.42
135.0	18.37
136.0	6.55
137.0	2.96
149.0	6.48
151.0	3.39
160.0	10.69
161.0	4.76
162.0	10.76
163.0	3.58
164.0	3.61
167.0	4.06
169.0	3.89
177.0	4.76
179.0	2.94
192.0	6.69
194.0	4.64
195.0	6.79
196.0	99.99
197.0	11.45
198.0	92.58
199.0	7.82
200.0	29.54
201.0	2.08
202.0	3.15

NAME: 2,4,6-TRICHLOROPHENOL
SYNONYM: 2,4,6-TRICHLOROPHENOL
DB#: JP000010
INCHIKEY: LINPIYWFGCPVIE-UHFFFAOYSA-N
MW: 195.924947756
FORMULA: C6H3Cl3O
PRECURSORMZ: 0
ACCESSION: JP000010
AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
INSTRUMENT: VARIAN MAT-44
SMILES: Clc(c1)cc(Cl)c(O)c(Cl)1
INCHI: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
SMILES_2: [H]OC=1C(Cl)=C([H])C(Cl)=C([H])C1Cl
EXACT_MASS: 195.92495
INSTRUMENT_TYPE: EI-B
MS_LEVEL: MS1
IONIZATION_ENERGY: 70 eV
ION_TYPE: [M]+*
IONIZATION_MODE: positive
LAST_AUTO-CURATION: 1495210336053
MOLECULAR_FORMULA: C6H3Cl3O
TOTAL_EXACT_MASS: 195.924947756
NUM PEAKS: 66
53.0	14.63
55.0	2.49
57.0	2.2
60.0	12.21
61.0	32.06
62.0	42.22
63.0	36.9
64.0	4.32
65.0	8.43
66.0	23.0
67.0	12.65
68.0	2.71
71.0	6.78
72.0	13.68
73.0	17.64
74.0	8.84
75.0	5.57
80.0	9.94
81.0	8.84
82.0	4.21
83.0	8.62
84.0	6.16
85.0	5.83
87.0	3.92
89.0	2.2
90.0	2.89
91.0	2.09
95.0	4.84
96.0	34.11
97.0	70.76
98.0	39.72
99.0	38.18
100.0	10.63
101.0	2.64
106.0	2.45
107.0	9.09
108.0	3.77
109.0	7.22
111.0	2.23
125.0	3.44
126.0	8.91
127.0	2.05
128.0	3.52
131.0	18.48
132.0	57.96
133.0	22.12
134.0	40.71
135.0	10.45
136.0	7.81
160.0	31.84
161.0	5.2
162.0	50.47
163.0	5.2
164.0	22.81
166.0	5.57
167.0	4.1
168.0	2.56
169.0	3.63
195.0	3.59
196.0	99.99
197.0	9.68
198.0	91.34
199.0	7.07
200.0	28.42
201.0	2.09
202.0	3.04