ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005999
RECORD_TITLE: CIS-JASMONE; 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$NAME: CIS-JASMONE
CH$NAME: CIS-3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O
CH$EXACT_MASS: 164.12012
CH$SMILES: CCC=CCC(=C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
CH$LINK: INCHIKEY XMLSXPIVAXONDL-PLNGDYQASA-N
CH$LINK: COMPTOX DTXSID4047092

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$SPLASH: splash10-03dl-9700000000-626f6beb94dae241c8a7
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  27 26.4 264
  28 4.2 42
  32 0.9 9
  38 1.8 18
  39 31.5 315
  40 0.62 6
  41 42.7 427
  42 2.1 21
  43 0.87 9
  50 3.4 34
  51 11.7 117
  52 6.8 68
  53 2.11 21
  54 3.2 32
  55 30.8 308
  56 1.8 18
  57 0.11 1
  58 0.9 9
  62 1.1 11
  63 4.1 41
  64 0.18 2
  65 13.4 134
  66 7.2 72
  67 21.5 215
  68 0.42 4
  69 2.4 24
  74 1.1 11
  75 0.9 9
  76 0.06 1
  77 25.3 253
  78 6.5 65
  79 48.3 483
  80 0.91 9
  81 24.4 244
  82 8.2 82
  83 1.2 12
  89 0.12 1
  91 29.5 295
  92 4.7 47
  93 31.9 319
  94 0.77 8
  95 10.2 102
  96 2.1 21
  97 1.2 12
  99 0.08 1
  102 0.7 7
  103 2.4 24
  104 1.1 11
  105 1.14 11
  106 2.7 27
  107 17.2 172
  108 5.1 51
  109 3.01 30
  110 59.3 593
  111 5.3 53
  115 2 20
  116 0.13 1
  117 3 30
  118 0.8 8
  119 2.9 29
  120 0.18 2
  121 14.1 141
  122 41.9 419
  123 9.4 94
  124 0.11 1
  128 0.6 6
  129 0.9 9
  130 0.7 7
  131 1.46 15
  132 2 20
  133 2.4 24
  134 1.2 12
  135 4.05 41
  136 8.8 88
  137 1.3 13
  145 1.9 19
  146 0.14 1
  147 2.6 26
  148 0.5 5
  149 47.4 474
  150 0.52 5
  151 0.7 7
  163 2.3 23
  164 99.99 999
  165 1.26 13
  166 1.3 13
//