ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002906
RECORD_TITLE: 2-N-BUTYL 2-CYCLOPENTENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-N-BUTYL 2-CYCLOPENTENONE
CH$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$LINK: COMPTOX DTXSID70432157
CH$LINK: INCHIKEY LQANWSYLRLMKDX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9877385
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kk-9200000000-27c61648f58d94067e5d
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 31.18 312
  28 7.53 75
  29 9.95 100
  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
  65 7.98 80
  66 7.06 71
  67 40.6 406
  68 25.51 255
  69 3.96 40
  77 6.44 64
  79 14.69 147
  80 2.68 27
  81 31.66 317
  82 12.49 125
  83 3.07 31
  91 3.01 30
  93 2.04 20
  94 3.4 34
  95 31.04 310
  96 99.99 999
  97 19.48 195
  109 36.77 368
  110 16.41 164
  123 21.56 216
  137 7.62 76
  138 51.36 514
  139 5.63 56
//
