MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008014
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008014
RECORD_TITLE: (4AS,5S,8AS)-(-)-8ABETA-METHOXYMETHOXYMETHYL-5BETA-METHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE 1-ETHYLENE ACETAL; 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$NAME: (4AS,5S,8AS)-(-)-8ABETA-METHOXYMETHOXYMETHYL-5BETA-METHYL-5ALPHA-(4-METHYL-3-PENTENYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1(2H)-ONE 1-ETHYLENE ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H38O4
CH$EXACT_MASS: 366.27701
CH$SMILES: COCOCC(C1)(C(O3)(OCC3)2)C([H])(CCC2)C(C)(CCC=C(C)C)CC1
CH$IUPAC: InChI=1S/C22H38O4/c1-18(2)8-5-10-20(3)11-7-12-21(16-24-17-23-4)19(20)9-6-13-22(21)25-14-15-26-22/h8,19H,5-7,9-17H2,1-4H3/t19-,20+,21+/m0/s1
CH$LINK: INCHIKEY
TXPPLIRRCBCMHO-PWRODBHTSA-N
AC$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: splash10-00kb-9202000000-25520ca550b2f04b6cd0
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
40 8.75 88
41 17.38 174
44 8.45 85
45 44.04 440
55 21.09 211
67 8.88 89
69 23.77 238
71 5.04 50
73 14.42 144
79 7.11 71
81 10.71 107
83 5.91 59
86 27.72 277
87 18.65 187
91 5.1 51
93 0.08 1
95 9.91 99
99 99.99 999
100 10.63 106
107 6.72 67
109 6.88 69
112 6.64 66
113 10.06 101
114 8.25 83
121 5.65 57
128 5.53 55
133 5.66 57
135 0.65 7
147 5.36 54
149 7.77 78
161 6.59 66
162 8.21 82
221 5.88 59
223 6.68 67
305 7.7 77
321 9.55 96
366 57.97 580
367 24.14 241
//