NAME: 2,4-DINITROPHENOL
SYNONYM: 2,4-DINITROPHENOL
DB#: JP000002
INCHIKEY: UFBJCMHMOXMLKC-UHFFFAOYSA-N
MW: 184.01202122799998
FORMULA: C6H4N2O5
PRECURSORMZ: 0
ACCESSION: JP000002
AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
INSTRUMENT: VARIAN MAT-44
SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(O)c1
INCHI: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
SMILES_2: [H]OC1=C([H])C([H])=C(C([H])=C1N(=O)=O)N(=O)=O
EXACT_MASS: 184.01202
INSTRUMENT_TYPE: EI-B
MS_LEVEL: MS1
IONIZATION_ENERGY: 70 eV
ION_TYPE: [M]+*
IONIZATION_MODE: positive
LAST_AUTO-CURATION: 1495210335764
MOLECULAR_FORMULA: C6H4N2O5
TOTAL_EXACT_MASS: 184.01202122799998
NUM PEAKS: 64
51.0	27.22
52.0	19.9
53.0	61.8
54.0	6.76
55.0	13.95
56.0	3.86
57.0	11.52
60.0	6.43
61.0	13.38
62.0	36.19
63.0	61.37
64.0	26.2
65.0	6.74
66.0	5.1
67.0	7.43
68.0	10.32
69.0	29.16
70.0	5.53
71.0	6.11
73.0	4.14
74.0	3.92
75.0	3.49
76.0	4.33
77.0	6.21
78.0	5.1
79.0	35.07
80.0	9.85
81.0	16.0
82.0	5.37
83.0	6.13
84.0	2.96
85.0	3.0
90.0	12.01
91.0	53.25
92.0	28.32
93.0	18.25
94.0	3.51
95.0	6.41
96.0	5.43
97.0	5.12
98.0	2.43
105.0	3.76
106.0	6.35
107.0	38.97
108.0	7.11
109.0	3.98
111.0	2.63
120.0	2.12
121.0	4.45
122.0	4.0
123.0	3.14
126.0	2.12
136.0	2.77
137.0	3.14
138.0	3.55
149.0	4.12
153.0	4.02
154.0	39.3
155.0	3.16
168.0	3.29
183.0	3.26
184.0	99.99
185.0	8.17
186.0	1.34

NAME: 2,5-DICHLOROPHENOL
SYNONYM: 2,5-DICHLOROPHENOL
DB#: JP000004
INCHIKEY: RANCECPPZPIPNO-UHFFFAOYSA-N
MW: 161.963920108
FORMULA: C6H4Cl2O
PRECURSORMZ: 0
ACCESSION: JP000004
AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
INSTRUMENT: VARIAN MAT-44
SMILES: Oc(c1)c(Cl)ccc(Cl)1
INCHI: InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
SMILES_2: [H]OC1=C([H])C(Cl)=C([H])C([H])=C1Cl
EXACT_MASS: 161.96392
INSTRUMENT_TYPE: EI-B
MS_LEVEL: MS1
IONIZATION_ENERGY: 70 eV
ION_TYPE: [M]+*
IONIZATION_MODE: positive
LAST_AUTO-CURATION: 1495210335825
MOLECULAR_FORMULA: C6H4Cl2O
TOTAL_EXACT_MASS: 161.963920108
NUM PEAKS: 44
51.0	5.05
52.0	2.29
53.0	22.87
59.0	3.69
60.0	16.58
61.0	33.26
62.0	62.1
63.0	99.99
64.0	11.61
65.0	2.73
66.0	4.11
71.0	2.98
72.0	12.03
73.0	32.28
74.0	12.69
75.0	11.42
81.0	6.65
82.0	4.64
83.0	3.82
84.0	3.02
85.0	2.81
87.0	2.86
89.0	2.17
90.0	2.05
91.0	6.28
96.0	3.57
97.0	15.64
98.0	39.0
99.0	33.72
100.0	13.84
101.0	10.87
126.0	9.01
127.0	3.11
128.0	3.25
133.0	6.28
134.0	4.28
135.0	4.21
136.0	2.59
161.0	11.74
162.0	89.04
163.0	12.37
164.0	52.89
165.0	4.62
166.0	8.78

NAME: 2,3-DICHLOROPHENOL
SYNONYM: 2,3-DICHLOROPHENOL
DB#: JP000006
INCHIKEY: UMPSXRYVXUPCOS-UHFFFAOYSA-N
MW: 161.963920108
FORMULA: C6H4Cl2O
PRECURSORMZ: 0
ACCESSION: JP000006
AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
INSTRUMENT: VARIAN MAT-44
SMILES: Oc(c1)c(Cl)c(Cl)cc1
INCHI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
SMILES_2: [H]OC=1C([H])=C([H])C([H])=C(Cl)C1Cl
EXACT_MASS: 161.96392
INSTRUMENT_TYPE: EI-B
MS_LEVEL: MS1
IONIZATION_ENERGY: 70 eV
ION_TYPE: [M]+*
IONIZATION_MODE: positive
LAST_AUTO-CURATION: 1495210335870
MOLECULAR_FORMULA: C6H4Cl2O
TOTAL_EXACT_MASS: 161.963920108
NUM PEAKS: 42
51.0	4.43
53.0	10.39
60.0	9.21
61.0	24.93
62.0	43.19
63.0	99.99
64.0	12.57
65.0	4.81
66.0	3.39
71.0	3.67
72.0	15.34
73.0	25.07
74.0	11.84
75.0	8.79
81.0	4.78
82.0	3.25
83.0	2.63
84.0	3.87
85.0	2.49
87.0	5.09
89.0	2.21
91.0	6.02
96.0	3.11
97.0	12.05
98.0	35.88
99.0	22.09
100.0	13.5
101.0	6.26
107.0	3.33
109.0	2.73
125.0	3.11
126.0	59.16
127.0	5.61
128.0	19.32
133.0	5.33
135.0	2.84
161.0	2.52
162.0	68.96
163.0	6.51
164.0	51.64
165.0	2.9
166.0	7.58

NAME: 3,5-DICHLOROPHENOL
SYNONYM: 3,5-DICHLOROPHENOL
DB#: JP000008
INCHIKEY: VPOMSPZBQMDLTM-UHFFFAOYSA-N
MW: 161.963920108
FORMULA: C6H4Cl2O
PRECURSORMZ: 0
ACCESSION: JP000008
AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
INSTRUMENT: VARIAN MAT-44
SMILES: Oc(c1)cc(Cl)cc(Cl)1
INCHI: InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
SMILES_2: [H]OC=1C([H])=C(Cl)C([H])=C(Cl)C1[H]
EXACT_MASS: 161.96392
INSTRUMENT_TYPE: EI-B
MS_LEVEL: MS1
IONIZATION_ENERGY: 70 eV
ION_TYPE: [M]+*
IONIZATION_MODE: positive
LAST_AUTO-CURATION: 1495210336053
MOLECULAR_FORMULA: C6H4Cl2O
TOTAL_EXACT_MASS: 161.963920108
NUM PEAKS: 32
51.0	1.24
53.0	4.19
60.0	3.61
61.0	8.59
62.0	16.38
63.0	31.53
64.0	4.94
72.0	4.88
73.0	10.01
74.0	4.53
75.0	3.92
81.0	6.85
82.0	4.37
83.0	2.46
97.0	7.3
98.0	27.86
99.0	28.43
100.0	10.31
101.0	9.88
126.0	8.1
127.0	4.51
128.0	3.3
133.0	4.08
134.0	6.58
135.0	2.96
136.0	4.15
161.0	3.31
162.0	99.99
163.0	8.57
164.0	60.06
165.0	4.43
166.0	9.68

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