ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000741
RECORD_TITLE: 2-METHOXYCARBONYLMETHYL-3-METHYL-2-CYCLOPENTEN-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$NAME: 2-METHOXYCARBONYLMETHYL-3-METHYL-2-CYCLOPENTEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O3
CH$EXACT_MASS: 168.07864
CH$SMILES: COC(=O)CC(=C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C9H12O3/c1-6-3-4-8(10)7(6)5-9(11)12-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY BKYLKYCUGLTFMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00499637
AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0553-9300000000-6b968f2713791173ae9c
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  39 52 520
  40 15 150
  41 77 770
  42 0.7 7
  43 17 170
  44 2 20
  45 5 50
  47 1 10
  48 5 50
  49 4 40
  50 13 130
  51 2.7 27
  52 14 140
  53 54 540
  54 8 80
  55 1.7 17
  56 2 20
  57 2 20
  58 1 10
  59 3.3 33
  60 2 20
  61 2 20
  62 4 40
  63 0.6 6
  64 2 20
  65 19 190
  66 13 130
  67 4.8 48
  68 6 60
  69 3 30
  70 0.1 1
  71 2 20
  74 2 20
  75 2 20
  77 1.7 17
  78 6 60
  79 81 810
  80 18 180
  81 8.3 83
  82 9 90
  83 23 230
  84 2 20
  85 1.6 16
  87 4 40
  91 3 30
  93 6 60
  94 0.6 6
  95 9 90
  96 2 20
  97 5 50
  98 0.4 4
  99 3 30
  107 5 50
  108 99.99 999
  109 5.6 56
  110 9 90
  111 3 30
  112 2 20
  121 0.2 2
  123 4 40
  125 6 60
  135 1 10
  136 52 520
  137 23 230
  138 0.3 3
  139 1 10
  140 1 10
  141 1 10
  168 2.7 27
  169 5 50
  170 1 10
//
