MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003081
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003081
RECORD_TITLE: ACETOPHENAZINE; 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$NAME: ACETOPHENAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H29N3O2S
CH$EXACT_MASS: 411.19805
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
CH$LINK: INCHIKEY
WNTYBHLDCKXEOT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2022547
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0h2f-7962200000-29f2e9055979e0add70b
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
41 6.4 64
42 30.4 304
43 15.9 159
44 0.79 8
45 5.5 55
54 2.4 24
55 6.9 69
56 1.79 18
57 9.9 99
58 11.9 119
68 2.9 29
69 0.39 4
70 37.9 379
71 9.9 99
72 3.9 39
73 0.39 4
74 4.9 49
77 1.5 15
78 0.1 1
79 0.01 0
80 1.1 11
81 1.8 18
82 4.1 41
83 0.44 4
84 7.6 76
85 3.2 32
86 3 30
87 0.08 1
88 3.1 31
89 1.1 11
90 0.3 3
95 0.14 1
96 4.9 49
97 10.9 109
98 13.9 139
99 0.79 8
100 14.9 149
101 1.4 14
109 1.4 14
110 0.19 2
111 7.9 79
112 2.9 29
113 22.9 229
114 0.39 4
115 2.9 29
123 2.4 24
124 1.9 19
125 1.04 10
126 3.9 39
127 4.4 44
128 3.9 39
129 0.24 2
139 9.4 94
140 2.4 24
141 7.9 79
142 0.14 1
143 55.9 559
144 4.9 49
152 0.9 9
153 0.69 7
154 1.9 19
155 0.9 9
157 24.9 249
158 0.29 3
159 0.9 9
166 1.4 14
167 1.9 19
168 0.09 1
169 4.4 44
170 2.4 24
171 19.9 199
172 0.34 3
177 0.4 4
178 1.9 19
179 3.9 39
180 0.26 3
189 3.9 39
190 17.9 179
191 1.9 19
192 0.04 0
193 0.9 9
194 0.9 9
196 3.9 39
197 0.89 9
198 4.9 49
199 1.9 19
200 0.9 9
209 0.09 1
210 2.9 29
211 3.4 34
212 5.9 59
213 0.14 1
214 0.9 9
222 14.9 149
223 4.9 49
224 0.29 3
225 2.4 24
226 1.9 19
240 13.9 139
241 0.99 10
242 2.9 29
243 0.9 9
254 99.99 999
255 3.59 36
256 10.9 109
257 2.9 29
267 2.4 24
268 0.84 8
269 5.4 54
270 2.4 24
280 7.9 79
281 0.79 8
282 2.9 29
283 1.4 14
310 2.4 24
311 0.19 2
324 3.9 39
325 1.4 14
337 3.6 36
338 0.11 1
380 27.4 274
381 7.9 79
382 2.9 29
383 0.09 1
393 8.1 81
394 3 30
395 1.4 14
396 0.09 1
409 2.4 24
410 1.9 19
411 51.9 519
412 1.64 16
413 5.9 59
414 1.4 14
//