ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000705
RECORD_TITLE: 2-HYDROXY-7-METHOXY-3-PHENYLCHROMAN-4-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-HYDROXY-7-METHOXY-3-PHENYLCHROMAN-4-ONE
CH$NAME: 2-HYDROXY-7-METHOXY-ISOFLAVANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14O4
CH$EXACT_MASS: 270.08921
CH$SMILES: COc(c3)cc(O1)c(c3)C(=O)C(c(c2)cccc2)C(O)1
CH$IUPAC: InChI=1S/C16H14O4/c1-19-11-7-8-12-13(9-11)20-16(18)14(15(12)17)10-5-3-2-4-6-10/h2-9,14,16,18H,1H3
CH$LINK: INCHIKEY VRUIPIIBPDPQRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20702857
AC$INSTRUMENT: JEOL JMS-06-H
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: splash10-0udi-1960000000-597f0a798f64b49f4b68
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39 3.2 32
  41 1.8 18
  50 1.3 13
  51 0.69 7
  52 1.7 17
  63 7.9 79
  65 2.3 23
  69 0.3 3
  76 3.8 38
  77 1.9 19
  78 2.9 29
  79 0.9 9
  91 6.2 62
  92 1.3 13
  94 1 10
  95 0.22 2
  102 4.9 49
  107 11 110
  108 2.6 26
  120 0.2 2
  122 17.7 177
  124 5.9 59
  126 5.7 57
  149 0.78 8
  150 32.6 326
  151 99.99 999
  152 11.5 115
  242 0.14 1
  251 68 680
  252 61.7 617
  253 9.7 97
  270 2.1 21
//
