MassBank Record: TY000158

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Phloretin; LC-ESI-ITTOF; MS2; [M+H]+

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

ACCESSION: TY000158
RECORD_TITLE: Phloretin; LC-ESI-ITTOF; MS2; [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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 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 16.100350 min
AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN

MS$FOCUSED_ION: BASE_PEAK 107.053700
MS$FOCUSED_ION: PRECURSOR_M/Z 275.089400

PK$SPLASH: splash10-0a4i-0900000000-ed2c23e84df7f42a0a67
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  104.101400 32214.000000 5
  105.044800 36656.000000 5
  106.874800 66398.000000 10
  107.053700 6687825.000000 999
  107.143200 133831.000000 20
  107.262600 154105.000000 23
  107.362100 103681.000000 15
  108.050300 1994530.000000 298
  108.260100 66864.000000 10
  109.041400 73369.000000 11
  127.038100 2024660.000000 302
  127.146400 45540.000000 7
  127.265600 46963.000000 7
  128.047300 437886.000000 65
  149.059900 1755607.000000 262
  150.058800 805001.000000 120
  150.282600 33582.000000 5
  151.049300 190721.000000 28
  169.046700 2758583.000000 412
  170.047700 867168.000000 130
  257.076300 73247.000000 11
  277.080300 68374.000000 10
//