ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008338
RECORD_TITLE: 2-N-BUTYLCYCLOPENTENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 2-N-BUTYLCYCLOPENTENONE
CH$NAME: 2-BUTYL-2-CYCLOPENTEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14O
CH$EXACT_MASS: 138.10447
CH$SMILES: CCCCC(=C1)C(=O)CC1
CH$IUPAC: InChI=1S/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h6H,2-5,7H2,1H3
CH$LINK: INCHIKEY LQANWSYLRLMKDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70432157
AC$INSTRUMENT: HITACHI M-60
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: splash10-00kk-9200000000-27ba3052db04d5953c4e
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  18 1.09 11
  27 31.18 312
  28 7.53 75
  29 9.95 100
  32 0.77 8
  38 1.19 12
  39 30.77 308
  40 6.61 66
  41 47.79 478
  42 4.09 41
  43 13.43 134
  50 2.43 24
  51 6.79 68
  52 4.99 50
  53 21.49 215
  54 9.14 91
  55 16.05 161
  56 1.59 16
  57 0.88 9
  63 1.98 20
  65 7.98 80
  66 7.06 71
  67 40.6 406
  68 25.51 255
  69 3.96 40
  77 6.44 64
  78 1.79 18
  79 14.69 147
  80 2.68 27
  81 31.66 317
  82 12.49 125
  83 3.07 31
  84 0.87 9
  91 3.01 30
  93 2.04 20
  94 3.4 34
  95 31.04 310
  96 99.99 999
  97 19.48 195
  98 0.88 9
  105 1.56 16
  109 36.77 368
  110 16.41 164
  111 1.02 10
  123 21.56 216
  124 1.54 15
  137 7.62 76
  138 51.36 514
  139 5.63 56
//
