ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004110
RECORD_TITLE: BORNEOL; 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$NAME: BORNEOL
CH$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+/m0/s1
CH$LINK: INCHIKEY DTGKSKDOIYIVQL-QXFUBDJGSA-N
CH$LINK: COMPTOX DTXSID3022035

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0002-9100000000-17ec59e424e6bec05bff
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  17 2.4 24
  18 11.7 117
  27 5.2 52
  28 49 490
  29 5.6 56
  31 0.9 9
  32 11.6 116
  39 0.62 6
  40 1.3 13
  41 17.4 174
  42 1.6 16
  43 1.36 14
  44 0.8 8
  45 0.7 7
  51 1.1 11
  52 0.05 1
  53 4.2 42
  54 1.1 11
  55 12.6 126
  56 0.18 2
  57 3.6 36
  58 0.4 4
  59 5.2 52
  63 0.04 0
  65 1.7 17
  66 0.8 8
  67 10.6 106
  68 0.32 3
  69 10.1 101
  70 3.3 33
  71 8.1 81
  72 0.57 6
  77 3.3 33
  78 0.7 7
  79 4.5 45
  80 0.19 2
  81 6.2 62
  82 10.9 109
  83 7.2 72
  84 0.53 5
  85 1.5 15
  91 2.9 29
  92 7.9 79
  93 1.88 19
  94 3 30
  95 99.99 999
  96 9.4 94
  97 0.22 2
  98 0.8 8
  99 1 10
  105 1.5 15
  106 0.05 1
  107 2.9 29
  108 3.5 35
  109 2.8 28
  110 2.5 25
  111 6.8 68
  112 0.7 7
  113 0.7 7
  121 1.21 12
  122 1.4 14
  123 1.1 11
  125 0.6 6
  126 0.05 1
  136 16 160
  137 1.8 18
  139 9.5 95
  140 0.09 1
  154 2 20
//