ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009722
RECORD_TITLE: ISONORBORNEOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9000000000-b6da564cb67071c842d1
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 2 20
  29 5.54 55
  31 1.33 13
  39 2.14 21
  40 2.55 26
  41 13.9 139
  42 4.53 45
  43 9.27 93
  44 4.12 41
  45 5.91 59
  53 7.06 71
  54 3.33 33
  55 16.41 164
  56 9.86 99
  57 23.18 232
  58 6.62 66
  65 2.03 20
  66 71.75 718
  67 70.26 703
  68 64.08 641
  69 7.91 79
  70 14.2 142
  71 6.23 62
  77 3.06 31
  78 1.51 15
  79 84.88 849
  80 6.27 63
  81 12.78 128
  82 1.71 17
  83 20.99 210
  84 7.27 73
  91 1.2 12
  93 6.06 61
  94 99.99 999
  95 8.88 89
  97 6.99 70
  111 1.36 14
  112 1.49 15
//