MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008001
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008001
RECORD_TITLE: (1R,4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-1BETA,2-DIFORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-1,4,4A,5,6,7,8,8AALPHA-OCTAHYDRONAPHTHALENE; 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$NAME: (1R,4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-1BETA,2-DIFORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-1,4,4A,5,6,7,8,8AALPHA-OCTAHYDRONAPHTHALENE
CH$NAME: SACCULATAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H30O2
CH$EXACT_MASS: 302.22458
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C([H])(C=O)C(C=O)=C([H])1
CH$IUPAC: InChI=1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18-,19+,20+/m0/s1
CH$LINK: INCHIKEY
CJRSLLMDIKKFIM-VNTMZGSJSA-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$SPLASH: splash10-0a4l-9620000000-eca24b0ce901a3dcf271
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
31 33.59 336
39 9.06 91
41 99.45 995
43 38.61 386
45 16.53 165
53 13.46 135
55 54.51 545
57 7.37 74
59 22.89 229
61 5 50
65 7.43 74
67 26.82 268
68 5.38 54
69 99.99 999
70 11.55 116
71 7.29 73
73 5.16 52
74 15.91 159
77 17.4 174
79 24.17 242
81 34.82 348
82 9.89 99
83 17.75 178
91 46.99 470
92 6.89 69
93 28.75 288
94 6.62 66
95 30.53 305
96 10.08 101
97 12.92 129
99 11.41 114
105 39.63 396
106 7.99 80
107 27.24 272
108 9.45 95
109 34.98 350
110 8.64 86
119 9.95 100
120 5.53 55
121 5.33 53
122 14.41 144
123 14.49 145
131 13.31 133
133 23.29 233
134 27.16 272
135 26.86 269
136 8.29 83
137 10.47 105
145 12.19 122
147 20.05 201
148 9.48 95
149 13.18 132
150 5.3 53
159 8.91 89
161 17.07 171
162 5.54 55
163 12.82 128
173 9.73 97
174 17.34 173
175 11.73 117
176 7.06 71
177 17.15 172
189 20.38 204
190 14.02 140
191 13.09 131
192 12.46 125
203 6.85 69
231 49.37 494
232 9.24 92
259 91.26 913
260 17.96 180
274 0.5 5
275 10.4 104
//