ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005552
RECORD_TITLE: 6-METHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 6-METHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀O₂
CH$EXACT_MASS: 174.06808
CH$SMILES: O=C(c32)C(C)(C1)C(Oc(cccc3)2)1
CH$IUPAC: InChI=1S/C11H10O2/c1-11-6-9(11)13-8-5-3-2-4-7(8)10(11)12/h2-5,9H,6H2,1H3
CH$LINK: INCHIKEY WYYFVKUBHSHHHS-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0kji-9600000000-484d4c7b03aedb09fc07
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  40 13 130
  41 28 280
  43 30 300
  45 28 280
  46 5 50
  47 11 110
  50 24 240
  51 33 330
  52 4 40
  53 19 190
  54 6 60
  55 32 320
  57 40 400
  63 21 210
  64 5 50
  65 16 160
  67 5 50
  69 22 220
  71 28 280
  75 8 80
  76 64 640
  77 18 180
  81 14 140
  82 7 70
  83 28 280
  84 4 40
  85 27 270
  91 20 200
  92 35 350
  93 6 60
  94 8 80
  95 8 80
  97 22 220
  103 11 110
  104 43 430
  105 17 170
  111 17 170
  115 14 140
  116 4 40
  117 12 120
  120 10 100
  121 23 230
  123 8 80
  131 72 720
  132 9 90
  133 3 30
  134 47 470
  135 3 30
  145 49 490
  146 9 90
  159 11 110
  160 1 10
  173 7 70
  174 99.99 999
  175 26 260
  176 1 10
//