MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008004
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008004
RECORD_TITLE: (2XI,4AS,5S,8AS)-(+)-2-CARBOMETHOXY-5BETA,8ABETA-DIMETHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (2XI,4AS,5S,8AS)-(+)-2-CARBOMETHOXY-5BETA,8ABETA-DIMETHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H32O3
CH$EXACT_MASS: 320.23514
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C(=O)C(C(=O)OC)C1
CH$IUPAC: InChI=1S/C20H32O3/c1-14(2)8-6-11-19(3)12-7-13-20(4)16(19)10-9-15(17(20)21)18(22)23-5/h8,15-16H,6-7,9-13H2,1-5H3/t15?,16-,19+,20-/m0/s1
CH$LINK: INCHIKEY
JRJJWSRANBMWST-HKPCIYPDSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-0600-4922000000-6b76ce06245ef927fcdb
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
41 31.64 316
43 7.87 79
55 28.26 283
67 11.75 118
68 5.79 58
69 60.42 604
79 6.93 69
81 23.72 237
82 12.9 129
83 20.27 203
87 14.81 148
93 11.21 112
95 17.24 172
96 12.9 129
97 6.6 66
105 5.26 53
107 12.98 130
108 6.82 68
109 27.08 271
110 6.47 65
121 12.42 124
122 13.58 136
123 24.66 247
124 6.06 61
129 10.8 108
133 5.97 60
134 6.69 67
135 2.62 26
136 26.63 266
137 12.71 127
142 14.3 143
143 7.12 71
147 5.28 53
148 5.91 59
149 16.92 169
150 9.41 94
151 5.89 59
155 11.65 117
159 19.09 191
161 14.78 148
162 5.91 59
163 11.53 115
165 6.64 66
166 14.77 148
167 10.64 106
168 87.86 879
169 14.61 146
175 7.98 80
176 13.3 133
177 12.68 127
178 7.38 74
179 5.87 59
180 15.53 155
181 14.39 144
182 16 160
183 5.35 54
191 6.56 66
193 9.38 94
194 5.53 55
195 5.33 53
203 9.21 92
205 15.77 158
207 8.02 80
217 9.88 99
219 23.73 237
220 4.61 46
221 10.26 103
235 6.96 70
273 27.22 272
274 5.18 52
288 17.62 176
289 11.72 117
305 27.06 271
320 99.99 999
321 25.26 253
//
system version 2.2.6-SNAPSHOT