ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011876
RECORD_TITLE: BICYCLO(4.3.0)NONAN-7-ONE; 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$NAME: BICYCLO(4.3.0)NONAN-7-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O
CH$EXACT_MASS: 138.10447
CH$SMILES: O=C(C1)C(C2)C(CCC2)C1
CH$IUPAC: InChI=1S/C9H14O/c10-9-6-5-7-3-1-2-4-8(7)9/h7-8H,1-6H2
CH$LINK: INCHIKEY ATKSQUYIHKMKTG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50937397

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$SPLASH: splash10-00lg-9100000000-fce1fdc4fd5f77870bac
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  15 2.6 26
  26 4.2 42
  27 37.2 372
  28 16.4 164
  29 13.8 138
  31 1 10
  32 1.8 18
  37 1.2 12
  38 3.4 34
  39 41.8 418
  40 8.7 87
  41 56.5 565
  42 5.8 58
  43 4 40
  44 1.6 16
  45 1.2 12
  50 4 40
  51 8.4 84
  52 5.7 57
  53 21 210
  54 46.1 461
  55 25 250
  56 7.7 77
  57 4.4 44
  58 2 20
  62 1.3 13
  63 3.1 31
  64 1.1 11
  65 6.4 64
  66 12.1 121
  67 99.99 999
  68 30.5 305
  69 16.7 167
  70 2.9 29
  71 2.8 28
  72 1.2 12
  77 7.7 77
  78 4.6 46
  79 23.1 231
  80 15.8 158
  81 68.3 683
  82 28 280
  83 42.9 429
  84 4.1 41
  91 6.5 65
  92 5.5 55
  93 4.5 45
  94 61.3 613
  95 18.7 187
  96 64 640
  97 8.3 83
  98 2 20
  105 1.7 17
  107 2.1 21
  109 32.3 323
  110 13.8 138
  111 2.4 24
  119 1.4 14
  120 7 70
  121 1.6 16
  122 2.9 29
  123 2.5 25
  137 4.6 46
  138 54.4 544
  139 7.3 73
  140 1.6 16
//