MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002811
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002811
RECORD_TITLE: 7-CHLORO-1,3-DIHYDRO-3-HYDROXY-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 7-CHLORO-1,3-DIHYDRO-3-HYDROXY-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H11ClN2O2
CH$EXACT_MASS: 286.05091
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
CH$LINK: INCHIKEY
ADIMAYPTOBDMTL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021087
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0699-7490000000-e90f4b8174c78110a07a
PK$NUM_PEAK: 211
PK$PEAK: m/z int. rel.int.
29 7 70
30 1 10
31 6 60
32 0.4 4
35 2 20
36 17 170
37 3 30
38 0.06 1
39 14 140
40 2 20
41 11 110
42 0.04 0
43 12 120
44 12.6 126
45 5 50
46 0.02 0
47 2 20
49 2.5 25
50 19 190
51 0.57 6
52 9 90
53 3 30
54 1 10
55 0.08 1
56 6 60
57 8 80
58 2 20
59 0.01 0
60 3 30
61 4 40
62 6.5 65
63 0.11 1
64 4 40
65 4 40
66 2.6 26
67 0.04 0
68 1 10
69 6.2 62
70 5 50
71 0.03 0
72 2 20
73 4.5 45
74 14 140
75 3.65 37
76 19 190
77 99.99 999
78 16 160
79 0.45 5
80 1 10
81 2 20
82 2 20
83 0.03 0
84 2 20
85 3 30
86 5 50
87 0.06 1
88 6 60
89 8.5 85
90 2 20
91 0.03 0
92 2 20
93 1 10
94 1 10
95 0.01 0
96 2 20
97 2.5 25
98 4.5 45
99 0.07 1
100 15 150
101 4.2 42
102 5 50
103 0.03 0
104 2.5 25
105 2.5 25
106 2 20
107 0.02 0
108 0.5 5
109 1 10
110 1 10
111 0.01 0
112 1 10
113 3.5 35
114 3.5 35
115 0.45 5
116 7 70
117 4.4 44
118 2.6 26
119 0.02 0
120 1.5 15
121 2 20
122 2 20
123 0.04 0
124 4 40
125 5 50
126 7 70
127 0.05 1
128 3 30
129 2 20
130 1 10
131 0.02 0
132 0.1 1
135 1 10
136 8 80
137 0.06 1
138 5 50
139 3 30
140 2 20
141 0.15 2
142 0.1 1
147 1 10
148 1.2 12
149 0.07 1
150 17 170
151 25 250
152 9.5 95
153 0.03 0
154 1 10
155 0.1 1
161 1 10
162 0.02 0
163 8 80
164 3.5 35
165 4.5 45
166 0.2 2
167 1 10
168 0.5 5
174 1 10
175 0.05 1
176 18.1 181
177 30 300
178 15 150
179 0.05 1
180 3 30
181 2.9 29
182 0.5 5
183 0.01 0
184 0.5 5
185 1 10
186 2 20
187 0.02 0
188 2 20
189 1 10
190 2.6 26
191 0.02 0
192 2 20
193 2 20
194 2 20
199 0.02 0
200 0.5 5
201 2 20
202 4.5 45
203 1.29 13
204 15.9 159
205 96.1 961
206 16.5 165
207 0.04 0
208 3 30
209 1 10
210 2 20
211 0.02 0
212 2.2 22
213 3 30
214 7 70
215 0.26 3
216 2.9 29
217 2 20
218 1.5 15
219 0.26 3
220 1.8 18
221 2 20
222 0.1 1
229 0.03 0
230 0.5 5
231 2 20
232 0.5 5
233 8.21 82
234 14.5 145
235 3.5 35
236 1 10
237 0.15 2
238 3.5 35
239 70 700
240 31.5 315
241 3.09 31
242 13.5 135
243 5 50
244 4.8 48
245 0.26 3
246 1.5 15
247 0.5 5
253 2 20
254 0.01 0
255 3 30
256 2 20
257 10 100
258 0.02 0
259 4 40
260 1 10
261 0.4 4
266 0.05 1
267 59 590
268 47.5 475
269 28.5 285
270 0.19 2
271 4 40
272 1.5 15
273 0.5 5
286 0.25 3
287 0.8 8
288 1.5 15
289 0.2 2
//
system version 2.2.6-SNAPSHOT