ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002601
RECORD_TITLE: NORBORNEOL; 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$NAME: NORBORNEOL
CH$NAME: ENDO-BICYCLO(2.2.1)HEPTAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O
CH$EXACT_MASS: 112.08882
CH$SMILES: OC(C1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
CH$LINK: INCHIKEY ZQTYQMYDIHMKQB-UHFFFAOYSA-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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-016u-9000000000-2dd03bd9111cb7344cec
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 3.17 32
  26 2.09 21
  27 25.25 253
  28 4.4 44
  29 13.65 137
  31 6.73 67
  38 2.64 26
  39 31.48 315
  40 8.22 82
  41 37.57 376
  42 7.57 76
  43 8.5 85
  44 5.96 60
  45 6.53 65
  50 2.4 24
  51 4.61 46
  52 2.11 21
  53 16.02 160
  54 6.25 63
  55 17.87 179
  56 9.18 92
  57 20.61 206
  58 4.2 42
  63 1.37 14
  65 5.31 53
  66 60.46 605
  67 66.54 665
  68 60.3 603
  69 5.96 60
  70 12.49 125
  71 5.65 57
  77 6.63 66
  78 2.04 20
  79 69.43 694
  80 5.91 59
  81 12.25 123
  82 1.68 17
  83 12.9 129
  84 4.8 48
  91 2.52 25
  93 5.43 54
  94 99.99 999
  95 8.53 85
  97 5.09 51
  111 1.2 12
  112 3.84 38
//