ACCESSION: MSBNK-Univ_Toyama-TY000142
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 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 20.497450 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: BASE_PEAK 285.081600

PK$SPLASH: splash10-000i-0090000000-2193a577d301158fdee9
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  285.081600 38222967.000000 999
  285.227600 558811.000000 15
  285.373700 926298.000000 24
  285.601000 399475.000000 10
  286.072200 7968156.000000 208
  286.397300 297288.000000 8
  287.080800 876508.000000 23
  321.050000 159017.000000 4
  571.156200 3044232.000000 80
  571.822400 193416.000000 5
  572.167100 1230342.000000 32
  573.155900 202370.000000 5
  586.367400 166552.000000 4
//