MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004380
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004380
RECORD_TITLE: (4BR,8AS)-(+)-4B,5,6,7,8,8A,9,10-OCTAHYDRO-2-ISOPROPYL-4B-((METHOXYMETHOXY)METHYL)-8,8-DIMETHYLPHENANTHREN-3-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (4BR,8AS)-(+)-4B,5,6,7,8,8A,9,10-OCTAHYDRO-2-ISOPROPYL-4B-((METHOXYMETHOXY)METHYL)-8,8-DIMETHYLPHENANTHREN-3-OL
CH$NAME: PISIFEROL (METHOXYMETHOXY)METHYL ETHRE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H34O3
CH$EXACT_MASS: 346.25079
CH$SMILES: COCOCC(C1)(c32)C([H])(CCc(cc(C(C)C)c(O)c3)2)C(C)(C)CC1
CH$IUPAC: InChI=1S/C22H34O3/c1-15(2)17-11-16-7-8-20-21(3,4)9-6-10-22(20,13-25-14-24-5)18(16)12-19(17)23/h11-12,15,20,23H,6-10,13-14H2,1-5H3/t20-,22-/m0/s1
CH$LINK: INCHIKEY
MODQAVGXDPNSOD-UNMCSNQZSA-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$SPLASH: splash10-00fv-9740000000-f76634bdf93fd12fe279
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
28 51.17 512
29 9.5 95
32 11.07 111
39 3.19 32
41 31.67 317
43 29.03 290
45 76.87 769
53 3.38 34
55 16.39 164
57 2.58 26
67 3.6 36
69 57.64 576
70 3.45 35
77 3.75 38
79 2.92 29
81 2.84 28
83 7 70
91 5.85 59
95 3.38 34
97 3.57 36
105 3.13 31
107 3.5 35
115 7.26 73
117 2.84 28
127 3.76 38
128 6.74 67
129 5.74 57
131 4.48 45
133 8.69 87
141 6.83 68
142 3.07 31
143 2.88 29
144 4.36 44
145 10.22 102
147 6.24 62
149 5.43 54
152 3.11 31
153 4.33 43
155 3.96 40
157 8.82 88
158 3.94 39
159 9.76 98
161 3.97 40
163 4.23 42
165 3.59 36
169 2.92 29
171 7.59 76
172 3.35 34
173 11.92 119
175 34.91 349
176 5.23 52
183 2.73 27
185 7.2 72
186 3.29 33
187 13.49 135
188 2.94 29
189 32.71 327
190 5.31 53
199 9.81 98
201 2.52 25
202 7.46 75
203 5.48 55
211 2.41 24
213 4.56 46
215 8.83 88
227 4.06 41
229 10.36 104
241 3.12 31
269 5.71 57
271 99.99 999
272 21.16 212
273 2.79 28
346 11.09 111
347 2.43 24
//