ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011974
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00m4-9200000000-a34252cf60bfcdb42f30
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  28 6.4 64
  39 1.9 19
  41 12.9 129
  42 2.6 26
  43 2.9 29
  44 1.4 14
  53 3.3 33
  54 33.3 333
  55 15.8 158
  56 8.5 85
  57 4.3 43
  58 2 20
  59 1.2 12
  60 1 10
  66 10.5 105
  67 88.8 888
  68 30.1 301
  69 17 170
  70 3.9 39
  71 4.1 41
  72 1.1 11
  78 1.5 15
  79 19.2 192
  80 21.9 219
  81 78.7 787
  82 36.5 365
  83 63.8 638
  84 6.3 63
  91 5.3 53
  92 7 70
  93 4 40
  94 93.3 933
  95 22.8 228
  96 99.99 999
  97 12.8 128
  98 2.8 28
  105 3.1 31
  107 3 30
  109 48 480
  110 17.6 176
  111 3.3 33
  119 1.9 19
  120 9.7 97
  121 2.9 29
  122 4.4 44
  123 3.6 36
  137 6.7 67
  138 93.3 933
  139 12.5 125
  140 2.6 26
//