MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003836
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003836
RECORD_TITLE: DIAZEPAM; 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$NAME: DIAZEPAM
CH$NAME: VALIUM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13ClN2O
CH$EXACT_MASS: 284.07164
CH$SMILES: Clc(c2)cc(C=1c(c3)cccc3)c(c2)N(C)C(=O)CN1
CH$IUPAC: InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
CH$LINK: INCHIKEY
AAOVKJBEBIDNHE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020406
AC$INSTRUMENT: Unknown
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: splash10-0a4i-3690000000-3c601fed832ff090653a
PK$NUM_PEAK: 168
PK$PEAK: m/z int. rel.int.
40 2.9 29
41 3.4 34
42 5.7 57
43 0.2 2
44 3.3 33
49 0.9 9
50 8.2 82
51 1.84 18
52 4.1 41
53 0.9 9
55 1.9 19
57 0.12 1
61 1.9 19
62 6.8 68
63 15.4 154
64 0.41 4
65 8.6 86
66 2.6 26
67 1.1 11
68 0.09 1
69 1.9 19
73 4.4 44
74 9.4 94
75 1.88 19
76 12.1 121
77 25.1 251
78 3.9 39
79 0.11 1
81 2.1 21
82 5.1 51
83 1.1 11
84 0.11 1
85 2.1 21
86 5.1 51
87 7.4 74
88 0.58 6
89 19.8 198
90 7.7 77
91 13.9 139
92 0.19 2
93 0.9 9
94 0.9 9
95 1.1 11
96 0.21 2
97 3.7 37
98 4.9 49
99 7.1 71
100 0.51 5
101 3.9 39
102 9.7 97
103 5.9 59
104 0.29 3
105 1.1 11
107 0.9 9
108 0.9 9
109 0.38 4
110 14.9 149
111 11.7 117
112 4.9 49
113 0.07 1
114 6.4 64
115 5.9 59
116 8.7 87
117 1.44 14
118 2.9 29
120 1.9 19
121 1.1 11
122 0.14 1
123 3.9 39
124 6.4 64
125 15.9 159
126 0.96 10
127 10.9 109
128 5.1 51
129 1.9 19
134 0.09 1
135 0.9 9
136 3.9 39
137 5.9 59
138 0.77 8
139 7.1 71
140 4.1 41
141 1.1 11
142 0.14 1
143 0.9 9
144 1.1 11
146 1.1 11
149 0.29 3
150 11.4 114
151 17.4 174
152 17.9 179
153 0.49 5
154 1.9 19
161 1.4 14
162 2.7 27
163 1.71 17
164 11.1 111
165 31.9 319
166 8.7 87
167 0.19 2
173 0.9 9
175 2.1 21
176 3.9 39
177 1.81 18
178 11.4 114
179 8.1 81
180 2.2 22
181 0.19 2
186 1.9 19
188 1.9 19
189 1.1 11
190 0.59 6
191 5.7 57
192 6.4 64
193 11.4 114
194 0.24 2
199 5.1 51
200 1.4 14
201 2.2 22
202 0.12 1
203 1.7 17
204 2.7 27
205 12.4 124
206 0.44 4
207 1.1 11
212 1.5 15
213 5.7 57
214 0.21 2
215 3.1 31
218 1.4 14
219 5.4 54
220 0.31 3
221 17.9 179
222 4.1 41
226 1.7 17
227 0.29 3
228 11.1 111
229 2.9 29
230 3.4 34
231 0.09 1
233 0.9 9
238 3.1 31
239 10.9 109
240 0.49 5
241 15.4 154
242 3.9 39
243 5.1 51
244 0.09 1
248 3.4 34
249 5.7 57
250 0.9 9
253 0.19 2
254 1.7 17
255 60.4 604
256 99.99 999
257 4.89 49
258 38.1 381
259 11.7 117
260 1.9 19
268 0.19 2
269 0.9 9
270 0.9 9
282 2.4 24
283 7.54 75
284 59.9 599
285 34.9 349
286 19.9 199
287 3.9 39
//