ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009057
RECORD_TITLE: 2-BUTYL-2-CYCLOPENTENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-BUTYL-2-CYCLOPENTENONE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000b-9200000000-39594487bd2c2ffeb15b
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 1.12 11
  26 2.21 22
  27 29.02 290
  29 8.55 86
  38 2.16 22
  39 32.94 329
  40 4.18 42
  41 42.95 430
  42 3.81 38
  43 7.99 80
  50 2.86 29
  51 9.27 93
  52 5.34 53
  53 22.13 221
  54 9.4 94
  55 11.65 117
  56 1.2 12
  63 2.63 26
  65 10.76 108
  66 8.43 84
  67 43.24 432
  68 21.63 216
  69 2.86 29
  77 7.65 77
  78 2.31 23
  79 15.54 155
  80 2.15 22
  81 26.95 270
  82 3.63 36
  83 2.02 20
  91 2.9 29
  93 1.64 16
  94 1.9 19
  95 27.19 272
  96 99.99 999
  97 18.39 184
  98 1.06 11
  105 1.56 16
  109 37.95 380
  110 16.15 162
  111 1.09 11
  123 19.47 195
  124 1.49 15
  137 5.58 56
  138 38.4 384
  139 3.82 38
//
