ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006366
RECORD_TITLE: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(4-METHOXYPHENYL)ETHYL)-CYCLOHEXANOL; 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$NAME: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(4-METHOXYPHENYL)ETHYL)-CYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆O₂
CH$EXACT_MASS: 262.19328
CH$SMILES: COc(c2)ccc(c2)C(C)(C)C([H])(C1)C([H])(O)CC([H])(C)C1
CH$IUPAC: InChI=1S/C17H26O2/c1-12-5-10-15(16(18)11-12)17(2,3)13-6-8-14(19-4)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3/t12-,15-,16-/m1/s1
CH$LINK: INCHIKEY TYFKWJZQXPHTGK-DAXOMENPSA-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$SPLASH: splash10-0udi-4900000000-8cdf3934624b50d58125
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  32 37.39 374
  40 2.6 26
  41 26.83 268
  53 2.77 28
  55 13.14 131
  57 4.07 41
  59 2.62 26
  65 5.81 58
  67 5.6 56
  69 8.71 87
  70 2.51 25
  71 0.82 8
  77 12.47 125
  78 5.19 52
  79 6.75 68
  81 11.43 114
  82 2.15 22
  90 2.36 24
  91 12.28 123
  92 3.39 34
  93 2.41 24
  94 5.36 54
  95 10.28 103
  103 4.64 46
  105 3.79 38
  106 2.45 25
  107 2.57 26
  108 3.51 35
  109 29.63 296
  110 2.38 24
  115 4.71 47
  117 4.21 42
  119 5.43 54
  121 49.46 495
  122 5.51 55
  123 2.73 27
  127 2.36 24
  128 7.49 75
  129 4.92 49
  131 3.73 37
  133 6.79 68
  134 5 50
  135 16.58 166
  136 2.02 20
  138 2.32 23
  141 4.49 45
  147 3.06 31
  148 22.08 221
  150 99.99 999
  151 8.79 88
  159 2.62 26
  161 8.43 84
  169 25.29 253
  170 8 80
  173 2.81 28
  200 2.21 22
  229 2.68 27
  262 26.83 268
  263 5.15 52
//