ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006929
RECORD_TITLE: BETA-TERPINEOL; 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$NAME: BETA-TERPINEOL
CH$NAME: 1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXAN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(=C)C(C1)CCC(C)(O)C1
CH$IUPAC: InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3
CH$LINK: INCHIKEY RUJPNZNXGCHGID-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7041209

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$SPLASH: splash10-006x-9100000000-1e530cbd646d0e92b81e
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  15 2.77 28
  27 18.43 184
  28 5.86 59
  29 14.12 141
  31 2.98 30
  38 1.08 11
  39 27.61 276
  40 6.89 69
  41 40.81 408
  42 5.44 54
  43 86.85 869
  44 1.97 20
  45 3.9 39
  50 1.05 11
  51 4.57 46
  52 2.31 23
  53 19.06 191
  54 3.2 32
  55 27.25 273
  56 6.75 68
  57 6.02 60
  58 28.83 288
  59 2.61 26
  62 1.27 13
  63 1.56 16
  65 4.94 49
  66 2.86 29
  67 24.39 244
  68 34.92 349
  69 42.72 427
  70 3.82 38
  71 99.99 999
  72 5.2 52
  77 7.36 74
  78 1.7 17
  79 21.7 217
  80 9.4 94
  81 20.79 208
  82 4.61 46
  83 14.05 141
  84 22.2 222
  85 1.7 17
  91 6.12 61
  92 16.98 170
  93 55.68 557
  94 27.41 274
  95 13.41 134
  96 2.97 30
  97 6.22 62
  105 1.96 20
  107 30.96 310
  108 20.26 203
  109 2.18 22
  111 12.52 125
  112 1.02 10
  121 33.4 334
  122 2.7 27
  123 1.15 12
  125 1.01 10
  126 1.2 12
  136 45.88 459
  137 5.64 56
  139 6.35 64
//