ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001151
RECORD_TITLE: METHYL 4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE; 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$NAME: METHYL 4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.09429
CH$SMILES: COC(=O)C(C(=O)2)(C31)C(CCC3)(CC2)1
CH$IUPAC: InChI=1S/C11H14O3/c1-14-9(13)11-7-3-2-5-10(7,11)6-4-8(11)12/h7H,2-6H2,1H3
CH$LINK: INCHIKEY JHOMMICRSSKRMH-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$SPLASH: splash10-03dl-8900000000-d1435e053228702ed3ea
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  40 5 50
  41 21 210
  42 5 50
  43 9 90
  44 5 50
  50 7 70
  51 16 160
  52 11 110
  53 16 160
  54 4 40
  55 21 210
  56 3 30
  59 12 120
  60 3 30
  65 13 130
  66 10 100
  67 12 120
  68 4 40
  77 32 320
  78 17 170
  79 37 370
  80 7 70
  91 47 470
  92 23 230
  93 78 780
  94 12 120
  95 8 80
  105 14 140
  106 20 200
  107 21 210
  108 8 80
  109 4 40
  119 8 80
  120 9 90
  121 8 80
  122 4 40
  133 10 100
  134 25 250
  135 28 280
  136 4 40
  137 8 80
  138 7 70
  139 3 30
  151 7 70
  152 48 480
  153 8 80
  154 4 40
  161 4 40
  162 99.99 999
  163 43 430
  164 4 40
  165 3 30
  166 36 360
  167 4 40
  194 10 100
  195 3 30
//