MassBank Record: TY000157

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Phloretin; LC-ESI-ITTOF; MS; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: TY000157
RECORD_TITLE: Phloretin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2010.10.14, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Phloretin
CH$NAME: 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone
CH$NAME: 2',4',6'-Trihydroxy-3-(p-hydroxyphenyl)-propiophenone
CH$NAME: 2',4',6'-Trihydroxy-3-(4-hydroxyphenyl)propiophenone
CH$NAME: 2',4',6'-Trihydroxy-3-(p-hydroxyphenyl)propiophenone
CH$NAME: Dihydronaringenin
CH$NAME: Floretin
CH$NAME: Naringenin dihydrochalcone
CH$NAME: Phloretol
CH$NAME: beta-(p-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone
CH$NAME: beta-(p-Hydroxyphenyl)phloropropiophenone
CH$COMPOUND_CLASS: Natural Product; Dihydrochalcone
CH$FORMULA: C15H14O5
CH$EXACT_MASS: 274.08411999999998442945070564746856689453125
CH$SMILES: Oc(c2)ccc(c2)CCC(=O)c(c(O)1)c(O)cc(O)c1
CH$IUPAC: InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
CH$LINK: CAS 60-82-2
CH$LINK: COMPTOX DTXSID6022393
CH$LINK: INCHIKEY VGEREEWJJVICBM-UHFFFAOYSA-N

AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV
AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000)
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 16.230783 min
AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN

MS$FOCUSED_ION: BASE_PEAK 273.074400

PK$SPLASH: splash10-00dj-0090050000-bfe2e52a902d0a6ce956
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  273.074400 35574804.000000 999
  273.233200 494208.000000 14
  273.376200 811118.000000 23
  273.582700 395736.000000 11
  274.075700 6042046.000000 170
  275.078900 809021.000000 23
  387.067200 450076.000000 13
  388.069900 177729.000000 5
  547.162200 18766851.000000 527
  547.364500 268337.000000 8
  547.566900 353516.000000 10
  547.926700 250912.000000 7
  548.174200 7337334.000000 206
  549.164600 1708572.000000 48
  550.178400 309971.000000 9
  569.137000 177729.000000 5
  929.648600 177729.000000 5
  1298.441300 177729.000000 5
//