ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007721
RECORD_TITLE: JASMONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: JASMONE
CH$NAME: (Z)-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([H])=C([H])CC(=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: CAS 488-10-8
CH$LINK: INCHIKEY XMLSXPIVAXONDL-PLNGDYQASA-N
CH$LINK: COMPTOX DTXSID4047092

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-01r6-9600000000-b7842817d55e1ef34cd5
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  40 17.5 175
  41 96.5 965
  42 9.1 91
  43 2.53 25
  44 1.5 15
  45 1 10
  50 8.7 87
  51 2.75 28
  52 15.3 153
  53 45.4 454
  54 7.1 71
  55 7.59 76
  56 4.4 44
  57 2.8 28
  62 2.3 23
  63 0.88 9
  64 2.8 28
  65 29.3 293
  66 14.9 149
  67 4.39 44
  68 6.7 67
  69 4.5 45
  74 1.2 12
  75 0.12 1
  77 50.9 509
  78 12.7 127
  79 99.99 999
  80 1.63 16
  81 37.4 374
  82 14.9 149
  83 1.7 17
  89 0.19 2
  91 58.3 583
  92 8.4 84
  93 53.3 533
  94 1.22 12
  95 19.5 195
  96 3 30
  97 1.2 12
  103 0.45 5
  105 21.3 213
  106 6.2 62
  107 35.9 359
  108 0.84 8
  109 32.9 329
  110 60.6 606
  111 5 50
  115 0.4 4
  116 2 20
  117 4.4 44
  118 1.1 11
  119 0.42 4
  120 4.1 41
  121 25.3 253
  122 52.8 528
  123 1.02 10
  129 1.5 15
  130 3.4 34
  131 29.5 295
  132 0.35 4
  133 3.2 32
  134 5.6 56
  135 42 420
  136 1.38 14
  137 1.4 14
  145 2.4 24
  146 5 50
  147 0.34 3
  148 5.6 56
  149 48.2 482
  150 5.4 54
  163 0.69 7
  164 55.9 559
  165 12.3 123
  166 1.2 12
//