MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004075
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004075
RECORD_TITLE: ORTHO-CHLORO-3-METHOXYDIAZEPAM; 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$NAME: ORTHO-CHLORO-3-METHOXYDIAZEPAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H14Cl2N2O2
CH$EXACT_MASS: 348.04323
CH$SMILES: COC(N=1)C(=O)N(C)c(c3)c(cc(Cl)c3)C1c(c2)c(Cl)ccc2
CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c1-21-14-8-7-10(18)9-12(14)15(20-16(23-2)17(21)22)11-5-3-4-6-13(11)19/h3-9,16H,1-2H3
CH$LINK: INCHIKEY
NUPVEWMVMAZQIC-UHFFFAOYSA-N
AC$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: splash10-0a4i-3879000000-0ff801e73ea82b02d6da
PK$NUM_PEAK: 171
PK$PEAK: m/z int. rel.int.
39 3.6 36
42 3.1 31
43 1.4 14
45 1.5 15
50 3.4 34
51 6 60
58 1.9 19
62 0.26 3
63 7.1 71
64 1.6 16
65 1.4 14
70 0.41 4
73 2.6 26
74 3.1 31
75 14.9 149
75.5 0.2 2
76 6.6 66
77 5.1 51
81 5.3 53
82 0.66 7
83 3.1 31
86 1.7 17
87 2.9 29
88 0.32 3
89 8.4 84
90 3.1 31
93 2.8 28
95 1.29 13
96 6.1 61
96.5 8.3 83
97 2 20
98 0.15 2
99 4.8 48
100 4.9 49
101 3.2 32
102 0.63 6
102.5 1.8 18
103 4.4 44
104 1.8 18
105 0.15 2
106.5 2.2 22
110 2 20
111 7.6 76
112 0.25 3
113 4.6 46
113.5 7.8 78
114 10.6 106
114.5 0.37 4
115 4.2 42
116 2.3 23
117 11.5 115
117.5 0.28 3
118 1.7 17
123 2 20
124 4.2 42
125 1.38 14
126 3.8 38
127 5.5 55
127.5 2.1 21
128 0.16 2
131 1.4 14
135 6.9 69
136 3.8 38
137 0.22 2
138 5.4 54
139 14.7 147
140 5.4 54
141 0.51 5
142 2 20
149 3.5 35
150 7.4 74
151 0.86 9
152 14.2 142
153 3.4 34
154 2 20
156 0.18 2
162 1.9 19
163 7.8 78
164 7.1 71
165 1.52 15
166 5.2 52
167 2 20
168 7.9 79
170 0.22 2
174 3.2 32
175 3.2 32
176 4.4 44
177 1.03 10
178 5.9 59
179 2.2 22
180 2 20
186 0.28 3
188 1.6 16
190 2.8 28
191 4.3 43
192 0.59 6
193 10 100
194 2.2 22
195 1.9 19
196 0.27 3
198 1.9 19
199 5.9 59
200 1.8 18
201 0.3 3
206 4.2 42
209 20.2 202
210 4.2 42
211 0.99 10
212 3.7 37
213 11.2 112
214 2.9 29
215 0.38 4
221 13.2 132
222 2.6 26
223 2.9 29
225 0.14 1
226 2.6 26
227 10.4 104
228 23.7 237
229 0.7 7
230 7.7 77
231 1.4 14
235 3.2 32
237 1.8 18
239 1.5 15
240 1.5 15
241 2 20
247 0.34 3
248 1.9 19
249 3.6 36
250 1.5 15
254 0.18 2
255 2 20
256 13.5 135
257 3 30
258 0.43 4
262 16 160
263 3.6 36
264 10.5 105
265 0.22 2
266 2 20
269 7.4 74
270 2.5 25
271 0.29 3
276 3.8 38
278 2.7 27
283 2.3 23
285 0.4 4
287 1.4 14
289 3.1 31
290 1.6 16
291 0.44 4
292 1.4 14
293 1.9 19
305 99.99 999
306 1.69 17
307 65.3 653
308 10.8 108
309 11.5 115
310 0.18 2
313 4.1 41
315 1.4 14
319 3.6 36
320 0.44 4
321 2.8 28
322 2.7 27
348 35 350
349 0.76 8
350 23.3 233
351 4.5 45
352 4.1 41
//
system version 2.2.6-SNAPSHOT