MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004353
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004353
RECORD_TITLE: 8-METHOXY-4A,9A-DIMETHYL-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$NAME: 8-METHOXY-4A,9A-DIMETHYL-1,2,3,4,4A,9A-HEXAHYDROPYRIDO(2,3-B)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20N2O
CH$EXACT_MASS: 232.15756
CH$SMILES: COc(c3)c(N1)c(cc3)C(C)(C2)C(C)(NCC2)1
CH$IUPAC: InChI=1S/C14H20N2O/c1-13-8-5-9-15-14(13,2)16-12-10(13)6-4-7-11(12)17-3/h4,6-7,15-16H,5,8-9H2,1-3H3
CH$LINK: INCHIKEY
LYDRNZPGJRDFDM-UHFFFAOYSA-N
AC$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: splash10-004i-4900000000-476289ffb7ec3dbdbbc2
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
26 7.4 74
27 20.4 204
29 7.8 78
30 1.8 18
31 2 20
37 2.4 24
38 3.4 34
39 3.17 32
40 13.5 135
41 36 360
42 35.2 352
43 0.77 8
45 1.5 15
50 8.3 83
51 17.2 172
52 1.76 18
53 19 190
54 9.5 95
55 17.3 173
56 0.99 10
57 5.6 56
58 1.9 19
59 1.4 14
61 0.14 1
62 3.6 36
63 11.5 115
64 6.3 63
65 2.42 24
66 12.3 123
67 6.1 61
101 3.4 34
102 0.48 5
103 9 90
104 9 90
105 9.6 96
106 1.07 11
107 7.2 72
108 53.5 535
108.5 1.6 16
109 0.81 8
110 5.5 55
111 4.8 48
114 1.6 16
115 1.3 13
116 7.7 77
117 13.5 135
118 7.2 72
119 0.26 3
120 5.6 56
121 8.9 89
122 3 30
123 4.44 44
124 4.2 42
127 3.3 33
128 6.1 61
129 0.51 5
130 14.8 148
131 16.9 169
132 33.8 338
133 0.77 8
171 4 40
172 8.3 83
173 18.3 183
174 8.2 82
175 99.99 999
176 72 720
177 8.5 85
178 0.11 1
182 1.5 15
183 2.1 21
184 4.8 48
185 0.4 4
186 5.1 51
187 6.8 68
188 31 310
189 3.2 32
190 11.6 116
191 4.4 44
192 1 10
//