ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007647
RECORD_TITLE: EXO-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$NAME: EXO-NORBORNEOL
CH$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-VQVTYTSYSA-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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9000000000-cf95a78fd6009a0aca9b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  42 1.17 12
  43 1.95 20
  44 1.56 16
  45 3.59 36
  54 1.33 13
  55 3.67 37
  56 5.31 53
  57 8.6 86
  58 3.36 34
  66 43.14 431
  67 20.08 201
  68 37.12 371
  69 3.13 31
  70 7.38 74
  71 4.3 43
  78 1.17 12
  79 44.31 443
  80 4.14 41
  81 6.49 65
  82 1.56 16
  83 7.81 78
  84 4.69 47
  93 2.58 26
  94 99.99 999
  95 8.6 86
  96 1.09 11
  97 5.31 53
  111 1.41 14
  112 3.13 31
//