MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003516
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003516
RECORD_TITLE: O-CHLORODESMETHYLDIAZEPAM; 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$NAME: O-CHLORODESMETHYLDIAZEPAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H10Cl2N2O
CH$EXACT_MASS: 304.01702
CH$SMILES: O=C(C2)Nc(c3)c(cc(Cl)c3)C(=N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
CH$LINK: INCHIKEY
CHIFCDOIPRCHCF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70183137
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$SPLASH: splash10-0fb9-6794000000-90a56d756980bc170dc2
PK$NUM_PEAK: 203
PK$PEAK: m/z int. rel.int.
31 2.4 24
36 3.8 38
38 2.7 27
39 9.8 98
41 9.2 92
42 2.7 27
43 7.9 79
44 0.22 2
45 5.9 59
48 1.7 17
49 1.3 13
50 0.85 9
51 16.3 163
52 4.9 49
53 1.9 19
54 0.2 2
55 9.4 94
56 2.5 25
57 16.2 162
60 0.27 3
61 2.6 26
61.5 1.6 16
62 10.9 109
63 1.85 19
64 3.9 39
65 2.8 28
67 1.9 19
68 0.33 3
69 6.7 67
70 2.5 25
71 4.2 42
73 0.58 6
74 9.7 97
74.5 3.7 37
75 47.8 478
75.5 1.39 14
76 25.7 257
76.5 3.4 34
77 19.3 193
78 0.35 4
79 1.3 13
80 3.5 35
81 7.4 74
81.5 0.72 7
82 4.8 48
82.5 1.5 15
83 3.7 37
85 0.28 3
86 4.6 46
87 5.9 59
87.5 1.9 19
88 0.84 8
88.5 24.6 246
89 41 410
89.5 11.1 111
90 0.65 7
91 4.6 46
92 2.9 29
92.5 3.5 35
93 1.36 14
93.5 2.6 26
94 5.9 59
94.5 2.2 22
95 0.34 3
95.5 2.8 28
96 1.6 16
97 2.6 26
98 0.5 5
99 9.3 93
99.5 1.4 14
100 5.9 59
101 0.49 5
101.5 1.9 19
102 46.1 461
102.5 27.8 278
103 2.41 24
103.5 3.7 37
104 3.2 32
105 2.1 21
105.5 0.25 3
106 7.7 77
106.5 6.7 67
107 12.7 127
107.5 0.35 4
108 4.6 46
109 1.7 17
110 3.8 38
111 1.35 14
112 11.2 112
112.5 1.3 13
113 7 70
113.5 0.17 2
114 4.9 49
115 2.5 25
116 11.1 111
117 0.34 3
119 2.7 27
119.5 2.3 23
120 34.4 344
120.5 1.37 14
121 12.3 123
121.5 3.8 38
122 2 20
123 0.53 5
124 5.9 59
125 12.8 128
125.5 1.8 18
126 0.96 10
127 5.6 56
128 2.3 23
129 2.3 23
132 0.17 2
135 1.3 13
136 4.6 46
137 5 50
138 2.9 29
139 9.4 94
140 8.7 87
141 5 50
149 1.16 12
150 18.4 184
151 19.5 195
152 12.4 124
153 3.1 31
155 1.5 15
157 1.5 15
159 2.2 22
160 0.18 2
161 1.5 15
162 2.5 25
163 20.9 209
164 0.66 7
165 9.7 97
166 4.7 47
167 2.5 25
168 0.25 3
173 1.4 14
175 3.8 38
176 9.1 91
177 3.26 33
178 17.3 173
179 9.2 92
180 1.9 19
185 0.2 2
186 4.8 48
187 1.4 14
188 2 20
190 0.26 3
191 3.1 31
192 3.8 38
193 1.3 13
198 0.13 1
199 2.2 22
203 2.4 24
204 3.4 34
205 1.36 14
206 9.8 98
207 1.9 19
211 2.5 25
212 0.48 5
213 9.3 93
214 11.3 113
215 4.7 47
216 0.47 5
226 1.9 19
227 4.5 45
228 1.7 17
229 0.15 2
233 3.2 32
234 9.7 97
235 2.5 25
239 1.49 15
240 11.6 116
241 42.6 426
242 12.4 124
243 1.26 13
244 2.9 29
248 7.2 72
249 1.9 19
250 0.47 5
251 1.6 16
252 1.4 14
262 2.4 24
264 0.14 1
268 21.9 219
269 99.99 999
270 23.4 234
271 3.38 34
272 5.3 53
275 85.5 855
276 63.8 638
277 7.5 75
278 43.4 434
279 22.5 225
280 7.9 79
281 0.19 2
303 62.2 622
304 99 990
305 58.2 582
306 6.35 64
307 17.4 174
308 11.2 112
309 2 20
//