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MassBank Record: MSBNK-Univ_Toyama-TY000141

Sakuranetin; LC-ESI-ITTOF; MS; [M+H]+

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

ACCESSION: MSBNK-Univ_Toyama-TY000141
RECORD_TITLE: Sakuranetin; 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$NAME: Sakuranetin
CH$NAME: (2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CH$NAME: (S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CH$NAME: (S)-(-)-4',5-Dihydroxy-7-methoxy-flavanone
CH$NAME: (-)-(S)-Sakuranetin
CH$NAME: (S)-4',5-Dihydroxy-7-methoxyflavanone
CH$NAME: 5,4'-Dihydroxy-7-methoxyflavanone
CH$NAME: 7-O-Methylnaringenin
CH$NAME: Naringenin 7-O-methyl ether
CH$NAME: Naringenin 7-methyl ether
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C16H14O5
CH$EXACT_MASS: 286.08412
CH$SMILES: COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)ccc(O)c2
CH$IUPAC: InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
CH$LINK: CAS 2957-21-3
CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-AWEZNQCLSA-N

AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$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 20.526667 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: BASE_PEAK 287.086400

PK$SPLASH: splash10-000i-0090000000-e9f27af35dfe96f8bcd7
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
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  1165.256300 520954.000000 5
  1852.792200 867571.000000 8
//

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