ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000752
RECORD_TITLE: 9-IODO-8-METHYL-3-OXO-2-OXABICYCLO(4.4.0)DEC-4-ENE-6,8-CARBOLACTONE; 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$NAME: 9-IODO-8-METHYL-3-OXO-2-OXABICYCLO(4.4.0)DEC-4-ENE-6,8-CARBOLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁IO₄
CH$EXACT_MASS: 333.97020
CH$SMILES: O=C(C=3)OC(C1)C(C3)(C(=O)2)CC(C)(O2)C(I)1
CH$IUPAC: InChI=1S/C11H11IO4/c1-10-5-11(9(14)16-10)3-2-8(13)15-7(11)4-6(10)12/h2-3,6-7H,4-5H2,1H3
CH$LINK: INCHIKEY LEUOKTNTKDLUQE-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$SPLASH: splash10-0a6r-9730000000-b89584f2bfbb3b534e47
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  39 18 180
  40 2 20
  41 15 150
  42 0.1 1
  43 35 350
  44 2 20
  45 1 10
  50 0.4 4
  51 12 120
  52 12 120
  53 19 190
  54 0.2 2
  55 15 150
  56 1 10
  57 12 120
  62 0.1 1
  63 4 40
  64 1 10
  65 9 90
  66 0.1 1
  67 7 70
  69 10 100
  71 1 10
  74 0.1 1
  75 1 10
  77 14 140
  78 4 40
  79 2 20
  80 7 70
  81 52 520
  82 2 20
  83 0.1 1
  89 1 10
  90 1 10
  91 25 250
  92 0.3 3
  93 4 40
  94 1 10
  95 10 100
  96 0.1 1
  97 1 10
  103 2 20
  105 12 120
  106 0.1 1
  107 9 90
  108 25 250
  109 11 110
  110 0.6 6
  115 1 10
  117 2 20
  119 2 20
  123 0.1 1
  133 12 120
  134 1 10
  135 12 120
  136 0.1 1
  137 1 10
  138 1 10
  145 1 10
  147 0.1 1
  149 1 10
  150 17 170
  151 12 120
  152 0.1 1
  161 10 100
  162 2 20
  163 17 170
  164 0.2 2
  179 78 780
  180 8 80
  188 1 10
  207 99.99 999
  208 1 10
  334 5 50
  335 0.5 5
//