MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008000
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008000
RECORD_TITLE: (2XI,4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL2-FORMYL-5ALPHA-(4-METYL-3-PENTENYL)-3,4,4AALPHA,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$NAME: (2XI,4AS,5S,8AS)-(+)-5BETA,8ABETA-DIMETHYL2-FORMYL-5ALPHA-(4-METYL-3-PENTENYL)-3,4,4AALPHA,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: CC(C)=CCCC(C)(C2)C([H])(C1)C(C)(CC2)C(=O)C(C=O)C1
CH$IUPAC: InChI=1S/C19H30O2/c1-14(2)7-5-10-18(3)11-6-12-19(4)16(18)9-8-15(13-20)17(19)21/h7,13,15-16H,5-6,8-12H2,1-4H3/t15?,16-,18+,19-/m0/s1
CH$LINK: INCHIKEY
DBOUDQHWPFHKMO-ATQPIAHYSA-N
AC$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: splash10-0006-9300000000-e765ce4fb2600aee0f44
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
32 14.87 149
37 1.17 12
38 1.19 12
39 0.34 3
40 1.63 16
41 12.08 121
42 7.42 74
43 99.99 999
44 2.28 23
45 2.64 26
53 1.19 12
55 4.66 47
56 1 10
57 3.81 38
58 41.13 411
59 1.11 11
61 2.64 26
67 4.49 45
69 6.39 64
70 3.62 36
81 6.15 62
82 1.06 11
83 3.12 31
88 1.22 12
91 1.39 14
93 2 20
95 5.65 57
97 1.84 18
107 1.11 11
109 5.04 50
111 1.34 13
112 2.26 23
120 1.72 17
121 1.31 13
123 3.18 32
125 3.37 34
135 1.89 19
136 2.77 28
137 4.12 41
138 18.88 189
139 4.86 49
140 1.84 18
149 2.33 23
150 3.04 30
151 1.73 17
152 4.62 46
161 2.33 23
162 1.18 12
163 3.25 33
164 1.33 13
165 2.17 22
177 2.52 25
179 1.09 11
187 1.3 13
189 1.43 14
193 2.66 27
205 1.28 13
206 1.02 10
207 1.75 18
275 1.35 14
290 9.18 92
291 2.44 24
//
system version 2.2.6-SNAPSHOT