ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002278
RECORD_TITLE: CHALCONE; 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$NAME: CHALCONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂O
CH$EXACT_MASS: 208.08882
CH$SMILES: O=C(C=Cc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
CH$LINK: INCHIKEY DQFBYFPFKXHELB-VAWYXSNFSA-N
CH$LINK: COMPTOX DTXSID20873536

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-5890000000-645c9135637f00e29e82
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  50 4.52 45
  51 19.98 200
  63 3 30
  75 2.7 27
  76 6.94 69
  77 66.17 662
  78 5.04 50
  89 8.24 82
  90 4.02 40
  102 8.95 90
  103 36.41 364
  104 4.46 45
  105 33.93 339
  106 3 30
  130 12.48 125
  131 43.49 435
  132 4.29 43
  165 7.35 74
  178 8.35 84
  179 15.98 160
  180 5.59 56
  207 99.99 999
  208 91.42 914
  209 13.64 136
//