ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006362
RECORD_TITLE: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(2'-NAPHTHYL)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$NAME: (1R,2S,5R)-5-METHYL-2-(1-METHYL-1-(2'-NAPHTHYL)ETHYL)-CYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆O
CH$EXACT_MASS: 282.19837
CH$SMILES: [H]C(C)(C3)CC([H])(O)C([H])(C3)C(C)(C)c(c1)cc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C20H26O/c1-14-8-11-18(19(21)12-14)20(2,3)17-10-9-15-6-4-5-7-16(15)13-17/h4-7,9-10,13-14,18-19,21H,8,11-12H2,1-3H3/t14-,18-,19-/m1/s1
CH$LINK: INCHIKEY AKVNKXYVBBUSEZ-NIKGAXFTSA-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$SPLASH: splash10-0006-9400000000-fb1913c14b4f2831e33a
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  32 46.04 460
  37 1.56 16
  38 1.35 14
  39 3.33 33
  40 3.19 32
  41 2.99 30
  42 4.16 42
  43 99.99 999
  44 3.58 36
  45 2.56 26
  58 45.78 458
  59 2.77 28
  67 4.17 42
  69 2.25 23
  71 1.04 10
  77 1.13 11
  81 2.19 22
  82 9.56 96
  91 1.09 11
  95 3.48 35
  107 1.51 15
  109 3.3 33
  124 1.38 14
  126 1.26 13
  127 1.85 19
  128 4.08 41
  129 3.18 32
  134 1.16 12
  141 19.81 198
  142 1.21 12
  148 1.91 19
  150 4.32 43
  152 1.88 19
  153 4.87 49
  155 5.41 54
  156 0.18 2
  164 1.45 15
  168 10.19 102
  170 58.03 580
  171 0.42 4
  178 1.18 12
  182 1.06 11
  264 1.51 15
  280 3.05 31
  281 1.26 13
  282 5.41 54
  283 1.78 18
//