MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003096
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003096
RECORD_TITLE: PHENAZOCINE; 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$NAME: PHENAZOCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H27NO
CH$EXACT_MASS: 321.20926
CH$SMILES: c(c4)ccc(c4)CCN(C3)C(C1)C(C)C(C)(C3)c(c2)c(ccc(O)2)1
CH$IUPAC: InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m1/s1
CH$LINK: INCHIKEY
ZQHYKVKNPWDQSL-XGRCMKMKSA-N
AC$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$SPLASH: splash10-001i-7890000000-e417441361dcc432140e
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
26 1 10
27 2.8 28
28 4.1 41
29 0.2 2
30 3.4 34
31 0.1 1
32 0.8 8
38 0.04 0
39 2.1 21
40 1 10
41 4 40
42 0.87 9
43 3 30
44 11.9 119
45 1 10
50 0.09 1
51 1.7 17
52 1 10
53 1.7 17
54 0.12 1
55 3.4 34
56 6.2 62
57 4 40
58 2.42 24
59 1.4 14
62 0.2 2
63 1.6 16
64 0.01 0
65 3.7 37
66 0.9 9
67 1 10
68 0.15 2
69 1.6 16
70 2.9 29
71 0.9 9
72 0.04 0
75 0.2 2
76 0.4 4
77 6 60
78 0.21 2
79 5 50
80 1 10
81 1 10
82 0.14 1
83 1 10
84 1.5 15
85 0.4 4
88 0.04 0
89 1.2 12
90 0.7 7
91 6.5 65
92 0.18 2
93 1 10
94 1 10
95 0.5 5
96 0.07 1
97 0.2 2
101 0.4 4
102 1 10
103 0.37 4
104 1.8 18
105 10.7 107
106 1.8 18
107 0.31 3
108 0.9 9
109 0.4 4
110 1 10
114 0.02 0
115 4.6 46
116 2.2 22
117 2.2 22
118 0.01 0
119 1.5 15
120 1 10
121 1.1 11
122 0.04 0
127 2.8 28
128 3.4 34
129 2.6 26
130 0.17 2
131 4 40
132 2 20
133 1.7 17
134 0.08 1
135 0.2 2
139 0.7 7
140 0.4 4
141 0.02 0
142 1 10
143 1 10
144 3.4 34
145 0.64 6
146 2.6 26
147 2.3 23
148 1.2 12
149 0.02 0
150 0.2 2
151 0.4 4
152 1 10
153 0.01 0
154 0.7 7
155 1.9 19
156 1 10
157 0.47 5
158 6.7 67
159 6.9 69
160 1.9 19
161 0.01 0
162 2 20
166 0.2 2
167 0.3 3
168 0.04 0
169 0.7 7
170 1 10
171 1.8 18
172 0.23 2
173 11 110
174 2.7 27
175 1 10
176 0.02 0
181 0.2 2
182 0.4 4
183 0.7 7
184 0.15 2
185 1.4 14
186 1.3 13
187 4 40
188 1.2 12
189 0.04 0
197 0.3 3
198 0.9 9
199 2.3 23
200 0.12 1
201 1.1 11
202 0.4 4
215 1.3 13
216 0.12 1
217 1 10
218 0.3 3
228 3.3 33
230 99.99 999
231 17.6 176
232 2.1 21
233 0.4 4
318 0.04 0
319 1 10
320 1.9 19
321 1 10
322 0.07 1
323 0.2 2
//
system version 2.2.8-SNAPSHOT