MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004073
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004073
RECORD_TITLE: DIAZEPAM; 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$NAME: DIAZEPAM
CH$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$LINK: COMPTOX
DTXSID4020406
CH$LINK: INCHIKEY
AAOVKJBEBIDNHE-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:3016
AC$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: splash10-0a59-1290000000-da27f63bddb3263e0063
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
31 1.6 16
39 4.2 42
41 1.3 13
42 3.4 34
50 3.4 34
51 8.9 89
52 2 20
62 0.23 2
63 7.5 75
64 1.5 15
65 4.3 43
73 0.18 2
74 2.7 27
75 7.5 75
76 6.5 65
77 1.48 15
81 1.9 19
81.5 3.1 31
82 3.5 35
82.5 0.29 3
83.5 2.7 27
86 1.3 13
87 2.4 24
88 0.25 3
88.5 1.6 16
89 10.4 104
90 3.8 38
91 0.75 8
95.5 4.8 48
96 2.1 21
96.5 4.7 47
97 0.18 2
98 1.4 14
99 2.7 27
101 1.9 19
102 0.43 4
102.5 1.9 19
103 3.4 34
104 1.6 16
109 0.26 3
109.5 3.4 34
110 11.7 117
110.5 5.3 53
111 0.55 6
112 1.8 18
113 2.9 29
114 3.4 34
115 0.24 2
116 4.8 48
117 8.2 82
118 2.5 25
120 0.15 2
123 1.6 16
124 3.6 36
125 7.7 77
126 0.42 4
127 6.7 67
128 4.1 41
129 1.4 14
136 0.18 2
137 2.2 22
138 2.9 29
139 2.5 25
140 0.2 2
142 1.5 15
149 1.5 15
150 5.3 53
151 0.78 8
152 9.2 92
153 2.2 22
163 7 70
164 0.57 6
165 14.3 143
166 3.5 35
167 1.3 13
176 0.18 2
177 9.1 91
178 5.6 56
179 3.9 39
180 0.27 3
190 3 30
191 3 30
192 4.7 47
193 0.75 8
194 2.5 25
199 2.2 22
203 1.5 15
204 0.17 2
205 6.6 66
206 2.8 28
213 3.3 33
214 0.17 2
215 1.7 17
219 4.6 46
220 2.5 25
221 2.79 28
222 7.6 76
223 3 30
227 2.3 23
228 0.83 8
229 2.1 21
230 3.1 31
233 1.4 14
238 0.34 3
239 6.6 66
240 3.3 33
241 9.1 91
242 0.33 3
243 3.3 33
244 1.4 14
248 5.2 52
249 0.66 7
250 1.5 15
253 1.4 14
255 36 360
256 99.99 999
257 42.1 421
258 38 380
259 11 110
260 0.15 2
268 3.6 36
269 1.5 15
270 1.7 17
271 1.9 19
282 2.3 23
283 88.7 887
284 80 800
285 4.3 43
286 27.7 277
287 5.2 52
//