ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006931
RECORD_TITLE: ISOMENTHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOMENTHOL
CH$NAME: 1BETA,2ALPHA,5ALPHA-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXAN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O
CH$EXACT_MASS: 156.15142
CH$SMILES: CC(C)C([H])(C1)C([H])(O)CC([H])(C)C1
CH$IUPAC: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
CH$LINK: INCHIKEY NOOLISFMXDJSKH-LPEHRKFASA-N
CH$LINK: COMPTOX DTXSID40895816

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05gl-9000000000-5c2cebfdcb036e0aecdc
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 1.32 13
  27 19.45 195
  28 1.98 20
  29 16.97 170
  31 4.08 41
  39 18.02 180
  40 2.62 26
  41 48.86 489
  42 7.58 76
  43 31.82 318
  44 4.65 47
  45 2.27 23
  51 1.55 16
  53 9.83 98
  54 3.43 34
  55 37.7 377
  56 19.44 194
  57 25.16 252
  58 2.49 25
  59 1.11 11
  65 1.48 15
  67 21.11 211
  68 11.67 117
  69 26.36 264
  70 10.93 109
  71 99.99 999
  72 4.79 48
  73 1.28 13
  77 2.07 21
  79 2.84 28
  80 6.84 68
  81 55.47 555
  82 28.84 288
  83 9.59 96
  84 2.33 23
  85 8.58 86
  86 3.45 35
  91 1.05 11
  93 1.68 17
  94 2.98 30
  95 51.91 519
  96 16.97 170
  97 3.21 32
  99 3.12 31
  109 8.89 89
  110 4.76 48
  111 1.09 11
  112 1.43 14
  113 1.36 14
  123 23.31 233
  124 2.13 21
  138 19.18 192
  139 2.25 23
//