MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007999
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007999
RECORD_TITLE: (4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL-2-FORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-4A,5,6,7,8,8A-HEXAHYDRONAPHTHALEN-1(4H)-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$NAME: (4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL-2-FORMYL-5ALPHA-(4-METHYL-3-PENTENYL)-4A,5,6,7,8,8A-HEXAHYDRONAPHTHALEN-1(4H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O2
CH$EXACT_MASS: 288.20893
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C(=O)C(C=O)=C([H])1
CH$IUPAC: InChI=1S/C19H28O2/c1-14(2)7-5-10-18(3)11-6-12-19(4)16(18)9-8-15(13-20)17(19)21/h7-8,13,16H,5-6,9-12H2,1-4H3/t16-,18+,19?/m0/s1
CH$LINK: INCHIKEY
OJVMWXAYNQWVOS-CXEJCQMISA-N
AC$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: splash10-052f-9610000000-d360c765c0268ab0d880
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
32 10.05 101
39 11.89 119
41 53.15 532
42 12.75 128
43 99.99 999
53 9.86 99
55 28.82 288
57 5.74 57
58 74.3 743
67 16.79 168
68 5.01 50
69 52.06 521
77 8.55 86
79 11.29 113
81 21.81 218
82 6.44 64
83 17.25 173
91 11.19 112
93 13.94 139
95 13.54 135
97 6.22 62
105 7.7 77
107 13.07 131
108 5.86 59
109 37 370
110 6.55 66
121 13.19 132
122 10.14 101
123 15.82 158
133 7.58 76
134 5.29 53
135 14.65 147
136 10.85 109
137 22.41 224
138 17.44 174
147 0.09 1
149 17.59 176
150 22.6 226
151 7.1 71
159 6.89 69
161 12.52 125
162 18.65 187
163 15.62 156
164 5.07 51
175 17.59 176
176 6.36 64
177 12.04 120
189 16.75 168
191 7.88 79
192 5.05 51
203 5.25 53
245 30.92 309
246 5.82 58
260 7.62 76
273 29.08 291
274 6.14 61
288 12.05 121
//