ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000742
RECORD_TITLE: 3-(2-(METHOXY(ARBONYL)ETHYL)-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$NAME: 3-(2-(METHOXY(ARBONYL)ETHYL)-2-CYCLOPENTEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O3
CH$EXACT_MASS: 168.07864
CH$SMILES: COC(=O)CCC(C1)=CC(=O)C1
CH$IUPAC: InChI=1S/C9H12O3/c1-12-9(11)5-3-7-2-4-8(10)6-7/h6H,2-5H2,1H3
CH$LINK: COMPTOX DTXSID50457883
CH$LINK: INCHIKEY KGVGYHPHMLHEME-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11182843
AC$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: splash10-00lr-9200000000-ee05b126202e1c6bcd5d
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  39 34 340
  40 8 80
  41 33 330
  42 0.6 6
  43 17 170
  44 2 20
  45 8 80
  50 0.7 7
  51 15 150
  52 17 170
  53 48 480
  54 0.7 7
  55 18 180
  56 3 30
  57 3 30
  58 0.3 3
  59 18 180
  60 2 20
  61 2 20
  62 0.2 2
  63 3 30
  64 2 20
  65 11 110
  66 1.5 15
  67 25 250
  68 6 60
  69 6 60
  71 0.3 3
  74 4 40
  75 2 20
  77 9 90
  78 0.4 4
  79 30 300
  80 30 300
  81 99.99 999
  82 1 10
  83 7 70
  84 3 30
  85 2 20
  87 0.3 3
  91 3 30
  92 1 10
  93 3 30
  94 1.5 15
  95 18 180
  96 3 30
  97 8 80
  98 1.8 18
  99 5 50
  107 7 70
  108 27 270
  109 3.8 38
  110 6 60
  111 4 40
  112 3 30
  123 0.3 3
  125 10 100
  126 2 20
  136 15 150
  137 1.7 17
  138 3 30
  139 3 30
  140 18 180
  141 0.3 3
  168 52 520
  169 5 50
//
