ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005800
RECORD_TITLE: (1S-TRANS)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-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$NAME: (1S-TRANS)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-OL
CH$NAME: L-CARVEOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(=C)C([H])(C1)CC([H])(O)C(C)=C([H])1
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1
CH$LINK: CAS 2102-58-1
CH$LINK: INCHIKEY BAVONGHXFVOKBV-ZJUUUORDSA-N
CH$LINK: COMPTOX DTXSID60883795

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$SPLASH: splash10-05nf-9700000000-a75055e28480ba00b820
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  51 5.56 56
  52 15.04 150
  53 3.82 38
  54 15.67 157
  56 24.52 245
  57 7.56 76
  61 0.82 8
  62 2.55 26
  63 6.83 68
  64 3.55 36
  65 18.5 185
  66 5.74 57
  67 14.22 142
  68 7.47 75
  69 16.77 168
  70 2.46 25
  72 1.36 14
  75 2.18 22
  76 1.54 15
  77 36.91 369
  78 9.66 97
  79 20.78 208
  80 12.21 122
  81 10.2 102
  83 23.06 231
  84 54.14 541
  85 4.55 46
  89 3.09 31
  91 95.89 959
  92 38.65 387
  93 33.91 339
  94 8.02 80
  95 8.75 88
  96 8.2 82
  97 2.91 29
  99 2.64 26
  100 1.18 12
  103 6.65 67
  104 4.74 47
  105 31.81 318
  106 8.56 86
  107 3.64 36
  108 7.47 75
  109 77.3 773
  110 10.02 100
  111 1.64 16
  114 1.36 14
  115 9.57 96
  116 3.64 36
  117 21.6 216
  118 3.28 33
  119 99.99 999
  120 10.2 102
  121 2.91 29
  123 7.47 75
  124 2.64 26
  127 2.55 26
  129 1.91 19
  130 1.73 17
  131 3.28 33
  132 10.57 106
  133 5.74 57
  134 63.62 636
  135 6.28 63
  137 7.93 79
  152 14.22 142
  153 1.91 19
//