ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000322
RECORD_TITLE: EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL; 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$NAME: EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL
CH$NAME: IS0-BORNEOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: OC(C1)C(C)(C2)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10+/m1/s1
CH$LINK: INCHIKEY DTGKSKDOIYIVQL-VWHDNNRLSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9100000000-bf611d99f83c25c96877
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  15 1.7 17
  17 1.5 15
  18 5.6 56
  26 0.12 1
  27 12.2 122
  28 2.3 23
  29 9 90
  31 0.19 2
  39 14.8 148
  40 3.1 31
  41 30.6 306
  42 0.3 3
  43 15 150
  44 1.4 14
  45 1.4 14
  50 0.12 1
  51 3.2 32
  52 1.8 18
  53 8.5 85
  54 0.22 2
  55 17.8 178
  56 2.8 28
  57 4.8 48
  59 0.63 6
  63 1.2 12
  65 3.6 36
  67 17.4 174
  68 0.55 6
  69 12.2 122
  70 4.1 41
  71 9.4 94
  72 0.63 6
  77 6.4 64
  78 1.7 17
  79 8.9 89
  80 0.31 3
  81 7.9 79
  82 11.5 115
  83 7.9 79
  84 0.59 6
  85 2 20
  91 6.2 62
  92 8.8 88
  93 2.69 27
  94 5.2 52
  95 99.99 999
  96 10 100
  97 0.29 3
  98 1.3 13
  99 1.6 16
  105 2.5 25
  107 0.54 5
  108 4.6 46
  109 3.3 33
  110 19.5 195
  111 0.7 7
  112 1.2 12
  113 1.2 12
  121 8.4 84
  122 0.24 2
  123 1.4 14
  136 14.3 143
  137 2 20
  139 0.97 10
  140 1.2 12
  154 1.5 15
//