MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003515
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003515
RECORD_TITLE: O-CHLORODIAZEPAM; 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$NAME: O-CHLORODIAZEPAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12Cl2N2O
CH$EXACT_MASS: 318.03267
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
CH$LINK: INCHIKEY
VPAYQWRBBOGGPY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30183138
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$SPLASH: splash10-015c-4695000000-bec70b233f58559505f4
PK$NUM_PEAK: 203
PK$PEAK: m/z int. rel.int.
15 1.7 17
18 1.8 18
27 2.1 21
28 2.9 29
31 2.5 25
36 2 20
38 1.5 15
39 0.64 6
41 2.5 25
42 6.4 64
43 1.8 18
45 0.18 2
50 5 50
51 7.5 75
52 1.9 19
55 0.21 2
57 1.8 18
58 2.1 21
62 4.6 46
63 1.04 10
64 2.1 21
65 2.5 25
68 2 20
69 0.19 2
69.5 1.6 16
71 1.5 15
73 3.6 36
74 0.51 5
75 21.8 218
75.5 2.8 28
76 7.2 72
77 0.71 7
80 1.8 18
81 7.1 71
81.5 12.1 121
82 1.05 11
82.5 7.4 74
83 1.4 14
83.5 3.1 31
86 0.24 2
87 4.2 42
88 4.8 48
88.5 4.7 47
89 1.83 18
89.5 1.8 18
90 5.2 52
91 2.3 23
92.5 0.14 1
93 3.6 36
94 2.4 24
94.5 3.1 31
95 0.33 3
95.5 21.2 212
96 9.1 91
96.5 6.3 63
97 0.18 2
98 2.6 26
99 8 80
99.5 3.7 37
100 0.47 5
100.5 3.5 35
101 3.2 32
101.5 2.2 22
102 1.15 12
102.5 3.8 38
103 2.9 29
106 2.5 25
106.5 0.22 2
108 1.4 14
108.5 2.1 21
109 20.3 203
109.5 2.19 22
110 18.3 183
110.5 2.7 27
111 13.1 131
112 0.41 4
112.5 2.9 29
113 6.2 62
113.5 5.8 58
114 0.54 5
114.5 2 20
115 2.2 22
116 5 50
117 0.87 9
118 1.7 17
119.5 2.7 27
120 3.9 39
120.5 0.17 2
121 1.7 17
123 4.4 44
124 5.7 57
125 1.86 19
126 6 60
126.5 3.3 33
127 28.9 289
127.5 1.29 13
128 10.4 104
128.5 4.2 42
130.5 1.7 17
134 0.44 4
135 1.7 17
136 3.1 31
137 4.4 44
138 0.54 5
139 2.7 27
140 2 20
141 2.8 28
141.5 0.36 4
142 1.5 15
145 3.2 32
146 2.4 24
149 0.37 4
150 8.7 87
151 8 80
152 7.2 72
153 0.19 2
154 1.6 16
159 3.8 38
160 3.1 31
161 0.19 2
162 2.5 25
163 11 110
164 7.4 74
165 11.9 119
166 3 30
175 2.3 23
176 4.8 48
177 1.57 16
178 6.1 61
179 3.9 39
181 1.5 15
186 0.3 3
188 2 20
190 4.6 46
191 4.7 47
192 0.37 4
193 2.3 23
198 1.8 18
199 5.3 53
200 0.19 2
201 2.3 23
203 2.5 25
204 2.5 25
205 0.47 5
206 1.9 19
211 2.1 21
212 2.5 25
213 0.3 3
214 1.7 17
218 1.9 19
219 6 60
220 0.23 2
221 1.5 15
226 2.9 29
227 3.8 38
228 0.19 2
233 1.8 18
238 4 40
239 7.6 76
240 0.43 4
241 3.6 36
242 1.5 15
247 2 20
248 0.71 7
249 1.9 19
253 6 60
254 2.6 26
255 3.89 39
256 10.3 103
257 13.1 131
258 3.1 31
262 0.17 2
264 1.4 14
267 1.7 17
268 5.5 55
269 0.22 2
270 2.1 21
273 2.7 27
274 1.3 13
275 0.97 10
276 2.8 28
277 5.8 58
278 1.7 17
279 0.14 1
282 13 130
283 87.8 878
284 22.1 221
285 3.06 31
286 5.4 54
289 33.3 333
290 64.5 645
291 3.88 39
292 42.6 426
293 14.9 149
294 7.4 74
295 0.23 2
317 58.2 582
318 99.99 999
319 52.8 528
320 6.54 65
321 17.7 177
322 11.2 112
323 1.9 19
//