ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006751
RECORD_TITLE: 6-METHYL-3,4-(5'-CHLORO)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$NAME: 6-METHYL-3,4-(5'-CHLORO)BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$NAME: 7-CHLORO-3-METHYL-2,3-METHANOCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₉ClO₂
CH$EXACT_MASS: 208.02911
CH$SMILES: Clc(c3)cc(O1)c(c3)C(=O)C(C)(C2)C12
CH$IUPAC: InChI=1S/C11H9ClO2/c1-11-5-9(11)14-8-4-6(12)2-3-7(8)10(11)13/h2-4,9H,5H2,1H3
CH$LINK: INCHIKEY QXHWEEJMQGJQLJ-UHFFFAOYSA-N

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$SPLASH: splash10-0900-9830000000-0618b94d92c3e391c660
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  38 12 120
  39 57 570
  41 42 420
  43 0.17 2
  50 23 230
  51 22 220
  53 39 390
  62 0.17 2
  63 56 560
  69 11 110
  73 12 120
  74 0.21 2
  75 50 500
  76 10 100
  77 10 100
  91 0.2 2
  98 10 100
  99 13 130
  101 10 100
  102 0.1 1
  105 6 60
  110 34 340
  111 10 100
  112 0.13 1
  115 25 250
  116 10 100
  117 13 130
  126 0.17 2
  128 11 110
  138 31 310
  139 12 120
  140 0.12 1
  145 23 230
  155 15 150
  165 44 440
  167 0.17 2
  168 45 450
  170 13 130
  179 31 310
  181 0.15 2
  193 8 80
  195 3 30
  207 6 60
  208 99.99 999
  209 12 120
  210 34 340
  211 5 50
//