ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002604
RECORD_TITLE: NORBORNANE; 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$NAME: NORBORNANE
CH$NAME: BICYCLO(2.2.1)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: C(C1)C(C2)CC1C2
CH$IUPAC: InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2
CH$LINK: INCHIKEY UMRZSTCPUPJPOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4075376

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$SPLASH: splash10-0159-9000000000-e56983907183db17daf9
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 5.82 58
  26 2.72 27
  27 19.94 199
  28 4.05 41
  29 12.8 128
  30 1.94 19
  31 26.07 261
  32 12.02 120
  38 2.87 29
  39 31.81 318
  40 7.14 71
  41 24.44 244
  42 4.03 40
  43 1.94 19
  45 6.44 64
  46 2.79 28
  50 2.17 22
  51 3.88 39
  52 2.09 21
  53 14.74 147
  54 47.71 477
  55 29.17 292
  56 1.94 19
  63 1.55 16
  65 4.65 47
  66 13.19 132
  67 99.99 999
  68 79.37 794
  69 4.65 47
  77 3.18 32
  79 3.88 39
  80 1.32 13
  81 72.09 721
  82 5.28 53
  91 1.55 16
  95 5.28 53
  96 33.44 334
  97 3.1 31
//