ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005797
RECORD_TITLE: 3-METHYL-6-(1-METHYLETHYL)-2-CYCLOGEXEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYL-6-(1-METHYLETHYL)-2-CYCLOGEXEN-1-OL
CH$NAME: (+)CIS-PIPERITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C1)=C([H])C([H])(O)C([H])(C1)C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10-/m0/s1
CH$LINK: CAS 491-04-3
CH$LINK: INCHIKEY HPOHAUWWDDPHRS-UWVGGRQHSA-N
CH$LINK: COMPTOX DTXSID90884932

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000x-9200000000-b13d6efa256d01cc8a24
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  51 0.97 10
  52 4.21 42
  53 1.65 17
  54 5.33 53
  55 8.63 86
  56 2.65 27
  57 3.32 33
  59 1.17 12
  63 1.37 14
  65 5.35 54
  66 1.33 13
  67 6.15 62
  68 1.35 14
  69 9.7 97
  70 1.73 17
  71 12.17 122
  77 26.73 267
  78 4.48 45
  79 15.67 157
  80 5.68 57
  81 6.69 67
  82 1.27 13
  83 25.93 259
  84 99.99 999
  85 6.37 64
  91 27.83 278
  92 14.42 144
  93 91.97 920
  94 12.02 120
  95 3.73 37
  96 1.13 11
  97 5.2 52
  105 4.07 41
  106 0.99 10
  107 3.48 35
  108 1.22 12
  111 10.45 105
  112 7.81 78
  119 3.47 35
  121 20.5 205
  122 2.09 21
  136 24.03 240
  137 3 30
  139 31.51 315
  140 3.36 34
  154 11.45 115
  155 1.24 12
//