ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007650
RECORD_TITLE: ISOBORNEOL; 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$NAME: ISOBORNEOL
CH$NAME: EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL
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: CAS 124-76-5
CH$LINK: INCHIKEY DTGKSKDOIYIVQL-OYNCUSHFSA-N
CH$LINK: COMPTOX DTXSID40168259

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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01p2-9700000000-46eaa6015ae87b515fd4
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  43 2.74 27
  55 1.82 18
  57 1.37 14
  59 5.47 55
  67 1.82 18
  68 1.82 18
  69 3.65 37
  70 1.82 18
  71 5.47 55
  72 7.75 78
  79 1.37 14
  80 2.28 23
  81 5.2 52
  82 14.59 146
  83 7.75 78
  84 6.84 68
  85 2.01 20
  92 16.14 161
  93 23.25 233
  94 3.92 39
  95 99.99 999
  96 11.4 114
  97 2.1 21
  98 2.28 23
  99 1.82 18
  107 3.65 37
  108 5.93 59
  109 4.56 46
  110 55.35 554
  111 10.21 102
  112 1.37 14
  113 1.82 18
  121 19.42 194
  122 2.55 26
  123 2.28 23
  125 1.37 14
  126 1.82 18
  136 42.4 424
  137 5.47 55
  139 22.07 221
  140 2.28 23
  154 6.38 64
//