MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007997
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007997
RECORD_TITLE: (4AS,5S,8AS)-(-)-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$NAME: (4AS,5S,8AS)-(-)-5BETA,8ABETA-DIMETHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H30O
CH$EXACT_MASS: 262.22967
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C(=O)CC1
CH$IUPAC: InChI=1S/C18H30O/c1-14(2)8-6-11-17(3)12-7-13-18(4)15(17)9-5-10-16(18)19/h8,15H,5-7,9-13H2,1-4H3/t15-,17+,18-/m0/s1
CH$LINK: INCHIKEY
XHDVQLNRSVLERR-JQHSSLGASA-N
AC$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: splash10-0ar3-8900000000-15c15ef3b99e578ada1e
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
39 8.85 89
41 79.42 794
42 5.13 51
43 21.11 211
53 12.91 129
55 53.04 530
57 6.34 63
67 36.55 366
68 14.72 147
69 99.99 999
70 7.74 77
77 6.83 68
79 16.44 164
80 5.61 56
81 55.51 555
82 24.64 246
83 29.96 300
84 5.68 57
91 9.27 93
93 22.76 228
94 9.22 92
95 50.97 510
96 16.4 164
97 12.67 127
105 16.25 163
107 19.43 194
108 10.75 108
109 71.64 716
110 18.32 183
111 28.75 288
112 8.58 86
119 10.21 102
121 20.17 202
122 21.15 212
123 25.07 251
124 60.19 602
125 12.72 127
133 10.18 102
134 6.09 61
135 37.97 380
136 23.4 234
137 28.49 285
138 6.91 69
149 1.91 19
151 6.53 65
159 8.09 81
161 34.78 348
162 27.55 276
163 11.43 114
177 40.98 410
178 56.57 566
179 39.49 395
180 10.36 104
247 10.33 103
262 45.3 453
263 10.52 105
//