ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005810
RECORD_TITLE: 3,4-METHYLENEDIOXYPHENYL VINYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 3,4-METHYLENEDIOXYPHENYL VINYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8O3
CH$EXACT_MASS: 176.04734
CH$SMILES: C=CC(=O)c(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C10H8O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h2-5H,1,6H2
CH$LINK: INCHIKEY LNOUMTOCQWMBOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021092
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002b-2900000000-16bfb7565b2351622142
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.32 13
  39 1.18 12
  55 6.76 68
  63 6.3 63
  64 1.26 13
  65 21.47 215
  66 1.33 13
  89 3.22 32
  90 1.01 10
  91 8.77 88
  92 1.23 12
  118 3.25 33
  119 2.61 26
  120 1.31 13
  121 23.03 230
  122 2.2 22
  135 1.23 12
  146 3.03 30
  147 4.52 45
  148 5.67 57
  149 99.99 999
  150 8.63 86
  151 1 10
  174 1.98 20
  175 3.23 32
  176 60.88 609
  177 6.99 70
//
