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
//