ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001129
RECORD_TITLE: DIHYDROJASMONE; 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$NAME: DIHYDROJASMONE
CH$NAME: 3-METHYL-2-PENTYLCYCLOPENT-2-EN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O
CH$EXACT_MASS: 166.13577
CH$SMILES: CCCCCC(=C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
CH$LINK: INCHIKEY YCIXWYOBMVNGTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4051584

AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0iml-9400000000-a9ad6584e7f14ccde4f3
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  26 5 50
  27 45 450
  28 16 160
  29 35 350
  30 2 20
  31 1 10
  32 4 40
  38 3 30
  39 38 380
  40 10 100
  41 83 830
  42 7 70
  43 13 130
  50 5 50
  51 11 110
  52 10 100
  53 30 300
  54 8 80
  55 25 250
  56 4 40
  57 5 50
  63 4 40
  64 2 20
  65 12 120
  66 8 80
  67 49 490
  68 10 100
  69 7 70
  77 14 140
  78 4 40
  79 22 220
  80 6 60
  81 34 340
  82 23 230
  83 4 40
  91 8 80
  92 3 30
  93 7 70
  94 2 20
  95 25 250
  96 9 90
  97 3 30
  98 2 20
  99 3 30
  105 4 40
  107 4 40
  108 2 20
  109 23 230
  110 99.99 999
  111 17 170
  119 2 20
  121 2 20
  122 2 20
  123 21 210
  124 13 130
  125 2 20
  134 2 20
  136 1 10
  137 23 230
  138 5 50
  151 38 380
  152 6 60
  165 2 20
  166 10 100
  167 6 60
  168 1 10
//