ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000544
RECORD_TITLE: 2-PHENETHYLCHROMONE; 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$NAME: 2-PHENETHYLCHROMONE
CH$NAME: 2-PHENETHYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H14O2
CH$EXACT_MASS: 250.09938
CH$SMILES: c(c3)ccc(c3)CCC(=C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2
CH$LINK: INCHIKEY VNZNWFQJBFLELF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90210818
AC$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: splash10-0f6x-9050000000-048bf02ce4367d95d076
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  57 1.34 13
  91 99.99 999
  92 7.97 80
  121 2.16 22
  129 1.08 11
  131 2.98 30
  232 1.1 11
  233 1.34 13
  249 2.34 23
  250 55.4 554
  251 10.44 104
  252 1.24 12
//
