MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008036
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008036
RECORD_TITLE: CAULOPHYLLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CAULOPHYLLINE
CH$NAME: 1,2,3,4,5,6-HEXAHYDRO-3-METHYL-1,5-METHANO-8H-PYRIDO(1,2-A)(1,5)DIAZOCIN-8-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16N2O
CH$EXACT_MASS: 204.12626
CH$SMILES: CN(C2)CC([H])(C3)C(=C([H])1)N(CC([H])23)C(=O)C([H])=C([H])1
CH$IUPAC: InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3
CH$LINK: INCHIKEY
CULUKMPMGVXCEI-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-0a4i-9410000000-6abb4fe1c6377dc04826
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
37 0.25 3
38 0.87 9
39 6.4 64
41 8.49 85
42 11.03 110
43 9.98 100
45 0.13 1
50 0.7 7
51 2.03 20
52 1.48 15
53 2.41 24
54 1.09 11
55 2.84 28
56 1.39 14
57 6.84 68
58 99.99 999
59 4.4 44
60 0.37 4
61 1.01 10
62 0.5 5
63 1.04 10
64 0.65 7
65 3.29 33
66 1.84 18
67 2.46 25
68 1.61 16
69 2.25 23
70 1.89 19
71 1.87 19
73 0.42 4
74 0.22 2
75 0.23 2
76 0.54 5
77 4.35 44
78 2.71 27
79 2.36 24
80 1.69 17
81 2.05 21
82 4.78 48
83 2.37 24
84 1.74 17
85 1.72 17
86 0.36 4
87 0.27 3
88 1.79 18
89 1.29 13
90 1.05 11
91 2.54 25
92 1.44 14
93 2.03 20
94 3.34 33
95 1.75 18
96 3.62 36
97 1.78 18
98 0.74 7
99 0.54 5
101 0.63 6
102 1.14 11
103 1 10
104 3.22 32
105 2.33 23
106 1.82 18
107 1 10
108 1.82 18
109 2.36 24
110 0.66 7
111 1.05 11
112 0.42 4
113 0.51 5
114 0.29 3
115 1.37 14
116 0.69 7
117 7.03 70
118 3.95 40
119 1.17 12
120 0.74 7
121 1.02 10
122 1.38 14
123 1 10
124 0.32 3
125 0.55 6
126 0.21 2
127 0.48 5
128 0.58 6
129 0.47 5
130 3.06 31
131 2.07 21
132 3.18 32
133 2.4 24
134 2.82 28
135 0.68 7
136 0.32 3
137 0.35 4
138 0.36 4
139 0.41 4
140 0.24 2
141 0.4 4
142 1.11 11
143 0.55 6
144 1.11 11
145 2.85 29
146 13.21 132
147 3.7 37
148 1.13 11
149 3.71 37
150 0.63 6
151 0.29 3
152 0.36 4
153 0.27 3
154 0.28 3
155 0.45 5
156 0.28 3
157 0.3 3
158 0.98 10
159 2.35 24
160 9.6 96
161 2.82 28
162 1.31 13
163 0.52 5
164 0.23 2
165 0.22 2
166 0.23 2
167 0.83 8
168 0.37 4
169 0.32 3
170 0.66 7
171 0.6 6
172 0.68 7
173 0.81 8
174 0.55 6
175 0.35 4
176 1.01 10
177 0.47 5
178 0.25 3
179 0.37 4
180 0.25 3
183 0.34 3
184 0.41 4
185 0.47 5
186 0.54 5
187 0.75 8
188 0.7 7
189 0.93 9
190 0.82 8
191 0.24 2
193 0.28 3
195 0.32 3
197 0.23 2
198 0.31 3
199 0.41 4
200 0.41 4
201 0.59 6
202 1.2 12
203 1.02 10
204 39.49 395
205 6.23 62
206 0.66 7
207 0.01 0
208 0.25 3
209 0.29 3
//