ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002600
RECORD_TITLE: ISONORBORNEOL; 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$NAME: ISONORBORNEOL
CH$NAME: EXO-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$IUPAC: InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5?,6?,7-/m1/s1
CH$LINK: INCHIKEY ZQTYQMYDIHMKQB-KPGICGJXSA-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$SPLASH: splash10-014l-9000000000-bf3fb2ddca02ce2b24e1
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 3.16 32
  26 2.13 21
  27 26.12 261
  28 4.7 47
  29 14.23 142
  31 7.34 73
  37 1 10
  38 2.99 30
  39 34.7 347
  40 8.97 90
  41 38.9 389
  42 8.06 81
  43 10.53 105
  44 6.4 64
  45 7.26 73
  50 2.22 22
  51 4.5 45
  52 2.13 21
  53 17.02 170
  54 6.55 66
  55 19.27 193
  56 10.11 101
  58 7.57 76
  63 1.51 15
  65 6.26 63
  66 62.56 626
  67 70.78 708
  68 68.49 685
  69 6.12 61
  70 14.09 141
  71 7.54 75
  77 6.03 60
  78 1.85 19
  79 70.78 708
  80 5.69 57
  81 13.15 132
  82 2.05 21
  83 15.09 151
  84 6.55 66
  91 2.36 24
  93 5.27 53
  94 99.99 999
  95 9.96 100
  97 5.84 58
  111 1.42 14
  112 2.85 29
//