MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004072
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004072
RECORD_TITLE: OXAZEPAM; 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$NAME: OXAZEPAM
CH$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$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0pxr-6490000000-98a9035e85eeea7c02e5
PK$NUM_PEAK: 182
PK$PEAK: m/z int. rel.int.
30 1.4 14
31 18.5 185
36 4 40
38 2.1 21
39 10.4 104
40 2 20
41 8.8 88
42 0.68 7
43 15.6 156
44 2.2 22
45 12.7 127
49 0.22 2
50 14.8 148
51 46.5 465
52 7.6 76
55 0.25 3
56 1.5 15
57 3 30
59 8.4 84
61 0.3 3
62 5.6 56
63 12.7 127
64 3.4 34
65 0.4 4
66 2.2 22
69 1.4 14
69.5 1.6 16
70 0.19 2
71 2.7 27
72 2.4 24
73 2.7 27
74 1.03 10
74.5 1.3 13
75 31.2 312
75.5 7.1 71
76 1.99 20
76.5 1.7 17
77 99.99 999
78 12.9 129
79 0.33 3
81 1.5 15
81.5 1.5 15
82.5 1.6 16
83 0.17 2
83.5 6.5 65
84 2.2 22
86 2.5 25
87 0.39 4
88 5.5 55
88.5 9.4 94
89 12.3 123
89.5 0.4 4
90 5.5 55
91 2.9 29
92 2.4 24
93 0.27 3
94 1.5 15
96 1.5 15
96.5 2.1 21
97 0.37 4
97.5 3.4 34
98 3.4 34
99 6.9 69
100 1.21 12
101 5.3 53
101.5 2.1 21
102 16.2 162
102.5 1.05 11
103 5.4 54
104 29 290
105 6.2 62
106 0.19 2
106.5 1.7 17
107 2 20
109 1.3 13
110 0.88 9
111 7.6 76
111.5 1.9 19
112 3.9 39
113 0.24 2
114 1.9 19
114.5 3.2 32
115 2.1 21
116 0.15 2
117 1.8 18
118 2.2 22
119.5 2.3 23
120 0.4 4
121 1.8 18
123 1.9 19
124 3.5 35
125 0.35 4
126 6.3 63
127 5.3 53
128 2.2 22
129 0.25 3
130 1.3 13
134 2 20
135 1.3 13
136 0.6 6
137 3.7 37
138 3.9 39
139 3.3 33
140 0.24 2
141 2.4 24
149 6.5 65
150 10.5 105
151 2.02 20
152 9.1 91
153 4.3 43
154 1.7 17
155 0.14 1
162 1.3 13
163 6.6 66
164 2.9 29
165 0.32 3
166 3.4 34
167 2.4 24
168 1 10
174 0.11 1
175 3.4 34
176 11.4 114
177 21 210
178 11.8 118
179 9.4 94
180 2.4 24
181 4.9 49
182 0.11 1
183 1.1 11
185 1 10
186 2 20
187 0.11 1
192 2 20
193 2.5 25
194 6.5 65
195 0.21 2
199 1.5 15
202 3.1 31
203 8.3 83
204 0.96 10
205 62.2 622
206 11.6 116
207 3.8 38
208 0.11 1
211 1.5 15
212 1.8 18
213 4.4 44
214 0.76 8
215 2.7 27
216 3.4 34
221 1.5 15
223 0.16 2
228 1.8 18
229 16.4 164
230 4.8 48
231 0.57 6
232 1.7 17
233 53 530
234 9.7 97
235 0.14 1
238 1.8 18
239 54 540
240 26.9 269
241 3.72 37
242 15.6 156
243 8 80
244 3.2 32
255 0.23 2
256 1.6 16
257 86 860
258 16.2 162
259 2.79 28
260 5.2 52
267 47.5 475
268 67.4 674
269 2.78 28
270 24.1 241
271 4.6 46
285 4.8 48
286 1.3 13
287 4.5 45
288 4.5 45
//