ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001150
RECORD_TITLE: METHYL 3-OXO-5-(1-CYCLOPENTENYL)PENTANOATE; 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$NAME: METHYL 3-OXO-5-(1-CYCLOPENTENYL)PENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O₃
CH$EXACT_MASS: 196.10994
CH$SMILES: COC(=O)CC(=O)CCC(C1)=CCC1
CH$IUPAC: InChI=1S/C11H16O3/c1-14-11(13)8-10(12)7-6-9-4-2-3-5-9/h4H,2-3,5-8H2,1H3
CH$LINK: INCHIKEY XIEUINFEKFZBLX-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-003v-9200000000-9cace6806cdfca6bb200
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  39 49 490
  40 10 100
  41 58 580
  42 15 150
  43 28 280
  44 3 30
  45 3 30
  46 1 10
  47 1 10
  50 3 30
  51 10 100
  52 8 80
  53 31 310
  54 5 50
  55 26 260
  56 3 30
  57 9 90
  59 34 340
  60 1 10
  61 1 10
  62 1 10
  63 3 30
  64 1 10
  65 16 160
  66 14 140
  67 34 340
  68 4 40
  69 49 490
  70 1 10
  71 2 20
  74 9 90
  75 3 30
  77 26 260
  78 9 90
  79 99.99 999
  80 97 970
  81 49 490
  82 3 30
  83 1 10
  84 6 60
  85 3 30
  91 16 160
  92 3 30
  93 16 160
  94 70 700
  95 80 800
  96 8 80
  97 1 10
  98 1 10
  101 24 240
  102 1 10
  103 2 20
  104 5 50
  105 10 100
  106 2 20
  107 4 40
  108 5 50
  109 2 20
  115 1 10
  116 7 70
  117 5 50
  118 5 50
  119 8 80
  120 1 10
  121 5 50
  122 60 600
  123 24 240
  124 3 30
  127 1 10
  129 1 10
  133 1 10
  134 1 10
  135 2 20
  136 4 40
  137 2 20
  138 1 10
  146 1 10
  147 1 10
  148 1 10
  149 1 10
  153 1 10
  159 1 10
  163 1 10
  164 4 40
  165 3 30
  178 26 260
  179 3 30
  184 1 10
  196 17 170
  197 3 30
//