MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004074
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004074
RECORD_TITLE: 6-CHLORO-4-(ORTHO-CHLOROPHENYL)-2(1H)-QUINAZOLINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6-CHLORO-4-(ORTHO-CHLOROPHENYL)-2(1H)-QUINAZOLINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H8Cl2N2O
CH$EXACT_MASS: 290.00137
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(=O)N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C14H8Cl2N2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19)
CH$LINK: INCHIKEY
FIKXZQLWVRAQOA-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-052f-4490000000-e3b222d74488f17f061d
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
32 2.5 25
36 5.1 51
37 2.1 21
38 5.1 51
39 9.3 93
41 5.2 52
43 4.2 42
44 0.18 2
49 2.6 26
50 15.6 156
51 15.9 159
52 0.5 5
55 3.7 37
56 1.7 17
57 4.7 47
61 0.4 4
62 10.7 107
63 18.6 186
64 6.7 67
65 0.36 4
67 1.6 16
68 1.8 18
68.5 1.8 18
69 0.32 3
69.5 1.4 14
70 1.7 17
71 2.5 25
72 0.15 2
73 7 70
74 12.3 123
74.5 1.6 16
75 3.9 39
76 10.7 107
77 8 80
78 1.8 18
81 0.2 2
81.5 3.2 32
82 6 60
82.5 10 100
83 0.27 3
84 2 20
85 4.7 47
86 3.8 38
86.5 0.16 2
87 5.9 59
87.5 1.5 15
88 8 80
88.5 0.2 2
89 5.4 54
90 5 50
91 2.3 23
93 0.24 2
95 3.6 36
95.5 7.2 72
96 9.6 96
96.5 0.32 3
97 2.9 29
98 5 50
99 6.5 65
99.5 0.77 8
100 11.9 119
100.5 3.7 37
101 4.7 47
102 2.27 23
103 2.7 27
105 1.6 16
106 1.7 17
109 0.24 2
110 5.2 52
111 10.4 104
112 5.4 54
112.5 0.13 1
113 15 150
114 7.9 79
115 3.7 37
116 0.23 2
117 1.3 13
118 1.8 18
119 1.5 15
123 0.24 2
124 14.6 146
125 5.3 53
126 5.9 59
127 2.12 21
128 7.8 78
129 1.9 19
137 3.2 32
138 1.92 19
139 3.8 38
140 6.5 65
141 3.9 39
144 0.29 3
149 4.4 44
150 5.9 59
151 10.3 103
152 0.25 3
153 3.4 34
163 4.2 42
164 14.1 141
165 0.78 8
175 3 30
176 3.7 37
177 11.9 119
178 0.43 4
179 8.1 81
181 3 30
186 3.2 32
191 0.9 9
192 18.1 181
193 5 50
200 4.3 43
213 0.47 5
220 9.9 99
221 2.3 23
225 2.2 22
226 0.65 7
227 5.2 52
228 2.9 29
237 3.9 39
248 5.44 54
249 8.5 85
250 35.8 358
251 5.3 53
252 6.4 64
253 1.4 14
254 6.4 64
255 91.3 913
256 1.71 17
257 30.7 307
258 5.2 52
262 17.7 177
263 0.31 3
264 11.5 115
265 1.9 19
266 2.2 22
289 5.31 53
290 99.99 999
291 48.6 486
292 63.5 635
293 1.58 16
294 11.5 115
295 2 20
//