ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006000
RECORD_TITLE: DIHYDROJASMONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIHYDROJASMONE
CH$NAME: 3-METHYL-2-PENTYL-2-CYCLOPENTEN-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: COMPTOX DTXSID4051584
CH$LINK: INCHIKEY YCIXWYOBMVNGTB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:62378

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0ik9-7900000000-79a7d490f28c7bc92c64
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 0.5 5
  17 4.1 41
  18 18.4 184
  26 0.07 1
  27 15.2 152
  28 3.4 34
  29 12.4 124
  32 0.08 1
  38 0.6 6
  39 13.3 133
  40 3 30
  41 2.82 28
  42 1.6 16
  43 4.1 41
  50 1.1 11
  51 0.4 4
  52 3.5 35
  53 13.6 136
  54 2.4 24
  55 1.02 10
  56 0.9 9
  57 0.7 7
  63 1 10
  65 0.52 5
  66 3.2 32
  67 22.5 225
  68 3.9 39
  69 0.19 2
  77 6.5 65
  78 1.7 17
  79 10.9 109
  80 0.24 2
  81 17 170
  82 10.8 108
  83 1.7 17
  91 0.34 3
  92 0.5 5
  93 4.1 41
  94 1 10
  95 1.16 12
  96 2.5 25
  97 1.5 15
  105 1.2 12
  107 0.13 1
  108 0.7 7
  109 16.4 164
  110 99.99 999
  111 1.98 20
  112 1.5 15
  119 0.6 6
  121 0.7 7
  122 0.07 1
  123 19.9 199
  124 10.9 109
  125 1.2 12
  133 0.1 1
  137 24.4 244
  138 2.8 28
  149 0.9 9
  151 46.3 463
//