ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001127
RECORD_TITLE: 3-METHYL-2-PROPYLCYCLOPENT-2-EN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYL-2-PROPYLCYCLOPENT-2-EN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O
CH$EXACT_MASS: 138.10447
CH$SMILES: CCCC(=C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C9H14O/c1-3-4-8-7(2)5-6-9(8)10/h3-6H2,1-2H3
CH$LINK: INCHIKEY IAGSPEBQNJDWDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40465336

AC$INSTRUMENT: HITACHI RMU-7L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0fb9-9000000000-bf408e9a54977cdbd4df
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  26 11 110
  27 99.99 999
  28 57 570
  29 30 300
  30 3 30
  31 3 30
  32 14 140
  37 5 50
  38 11 110
  39 94 940
  40 20 200
  41 88 880
  42 10 100
  43 12 120
  44 2 20
  45 2 20
  49 2 20
  50 16 160
  51 39 390
  52 28 280
  53 61 610
  54 12 120
  55 25 250
  56 4 40
  57 3 30
  61 3 30
  62 6 60
  63 13 130
  64 5 50
  65 26 260
  66 16 160
  67 35 350
  68 9 90
  69 5 50
  70 2 20
  71 3 30
  74 4 40
  75 4 40
  76 3 30
  77 25 250
  78 9 90
  79 36 360
  80 9 90
  81 34 340
  82 17 170
  83 3 30
  89 3 30
  90 3 30
  91 9 90
  92 4 40
  93 6 60
  94 4 40
  95 20 200
  96 6 60
  97 3 30
  99 2 20
  102 2 20
  103 3 30
  105 4 40
  107 4 40
  108 4 40
  109 9 90
  110 31 310
  111 5 50
  123 18 180
  124 4 40
  137 3 30
  138 10 100
  139 6 60
  140 2 20
//