MassBank Record: TY000157



 Phloretin; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000157
RECORD_TITLE: Phloretin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (2010.10.14, 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: 274.08412 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: INCHIKEY VGEREEWJJVICBM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022393
AC$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 //

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