ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007390
RECORD_TITLE: DIHYDROCARVEOL(TRANS-EQUATORIAL); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIHYDROCARVEOL(TRANS-EQUATORIAL)
CH$NAME: 2-METHYL-5-ISOPROPENYLCYCLOHEXANOL(TRANS-EQUATORIAL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(=C)C([H])(C1)CC([H])(O)C([H])(C)C1
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m0/s1
CH$LINK: INCHIKEY KRCZYMFUWVJCLI-LPEHRKFASA-N
CH$LINK: COMPTOX DTXSID10332061

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0abl-7900000000-acb9fafc7cd3a13816b3
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  53 1.08 11
  55 10.46 105
  56 3.28 33
  57 3.05 31
  58 3.74 37
  67 10.01 100
  68 16.73 167
  69 12.31 123
  70 3.51 35
  71 5.13 51
  72 6.42 64
  77 1.07 11
  79 37.46 375
  80 6.64 66
  81 17.23 172
  82 15.57 156
  83 8.25 83
  84 4.75 48
  85 1.35 14
  91 3.35 34
  92 5.95 60
  93 54.21 542
  94 26.66 267
  95 9.48 95
  96 7.19 72
  97 8.32 83
  98 1.28 13
  105 2.38 24
  106 1.18 12
  107 90.04 900
  108 28.93 289
  109 2.74 27
  111 3.45 35
  121 74.34 743
  122 7.48 75
  135 1.24 12
  136 99.99 999
  137 11.41 114
  154 2.15 22
//