ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011049
RECORD_TITLE: METHYL (3-BENZYLOXYBICYCLO(4.1.0)HEPT-2-EN-7-YL)ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL (3-BENZYLOXYBICYCLO(4.1.0)HEPT-2-EN-7-YL)ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀O₃
CH$EXACT_MASS: 272.14124
CH$SMILES: COC(=O)CC(C21)C(C=C(OCc(c3)cccc3)CC2)1
CH$IUPAC: InChI=1S/C17H20O3/c1-19-17(18)10-16-14-8-7-13(9-15(14)16)20-11-12-5-3-2-4-6-12/h2-6,9,14-16H,7-8,10-11H2,1H3
CH$LINK: INCHIKEY UVINBQOYXMKEEA-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-09c6c5f4934e38152fa3
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 5.03 50
  41 3.68 37
  59 2.92 29
  65 10.26 103
  66 3.44 34
  77 5.75 58
  79 8.08 81
  91 99.99 999
  92 9.31 93
  93 5.45 55
  107 14.22 142
  121 6.2 62
  150 6.61 66
  164 1.41 14
  180 1.04 10
  181 3.82 38
  272 3.23 32
//