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
//