MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004352
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004352
RECORD_TITLE: 4A,9,9A-TRIMETHYL-1,2,3,4,4A,9A-HEXAHYDROPYRIDO(2,3-B)INDOLE; 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$NAME: 4A,9,9A-TRIMETHYL-1,2,3,4,4A,9A-HEXAHYDROPYRIDO(2,3-B)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20N2
CH$EXACT_MASS: 216.16265
CH$SMILES: c(c3)cc(N(C)1)c(c3)C(C)(C2)C(C)(NCC2)1
CH$IUPAC: InChI=1S/C14H20N2/c1-13-9-6-10-15-14(13,2)16(3)12-8-5-4-7-11(12)13/h4-5,7-8,15H,6,9-10H2,1-3H3
CH$LINK: INCHIKEY
MYKQPTVCLARZHD-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-5910000000-03cc8683c23b0f2dcb5b
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
26 11.5 115
27 28.1 281
29 13 130
30 1 10
31 4 40
37 4.3 43
38 9 90
39 0.31 3
40 17.1 171
41 20 200
42 24.1 241
43 1.86 19
45 5.4 54
50 9.2 92
51 18.1 181
52 0.88 9
53 9.5 95
53.5 2.5 25
54 4.8 48
55 1.58 16
56 16.5 165
57 10.8 108
58 3.5 35
59 0.35 4
60 3 30
61 2.5 25
62 4 40
63 0.92 9
64 5.7 57
65 14 140
66 6.5 65
67 0.95 10
68 6.5 65
69 8.3 83
70 6.2 62
71 0.5 5
72 3 30
73 7 70
74 5.5 55
75 0.65 7
76 6.5 65
77 32.1 321
78 14.1 141
78.5 0.4 4
79 14.6 146
80 4.5 45
81 5.8 58
82 0.55 6
83 5.9 59
84 4 40
85 4.1 41
86 0.35 4
86.5 2 20
87 7.5 75
88 2 20
89 0.59 6
91 16 160
92 6.5 65
93 10.5 105
94 0.51 5
95 4.9 49
96 4.5 45
97 4.3 43
98 0.35 4
99 3.1 31
99.5 2.5 25
100.5 3.5 35
101 0.55 6
102 6.9 69
103 9.1 91
104 8.8 88
105 0.85 9
106 50.3 503
107 41.5 415
108 7.5 75
109 0.45 5
110 4.9 49
111 3.5 35
112 2.3 23
113 0.28 3
114 2.1 21
115 16.6 166
116 8.3 83
117 1.21 12
118 7.1 71
119 3.5 35
120 9.2 92
121 0.4 4
127 6.1 61
128 10.5 105
129 8.2 82
130 1.35 14
131 9.2 92
132 10.5 105
133 4.1 41
134 0.43 4
135 2.5 25
140 4.1 41
141 4.5 45
142 0.82 8
143 17.6 176
144 39 390
145 18.1 181
146 0.93 9
147 4.1 41
148 1.5 15
149 2 20
152 0.31 3
153 3.1 31
154 4.5 45
155 5.2 52
156 1.25 13
157 15.6 156
158 89.2 892
159 99.99 999
160 5.31 53
161 8.1 81
167 4.7 47
168 4.3 43
169 0.35 4
170 6.5 65
171 8.5 85
172 33.1 331
173 2.41 24
174 8.5 85
175 6.2 62
176 3.1 31
180 0.35 4
181 4.3 43
182 5.5 55
183 5.2 52
184 0.71 7
185 7.5 75
186 16.5 165
187 6.3 63
188 0.35 4
189 2.1 21
194 2.1 21
195 3.1 31
196 0.35 4
197 4.5 45
198 10.5 105
199 16.6 166
200 2.06 21
201 43.4 434
202 29.6 296
202.5 2.5 25
203 0.72 7
214 5.1 51
215 4.5 45
216 43.9 439
217 8.5 85
//