MassBank Record: TY000141



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

ACCESSION: 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
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$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 287.086400
PK$SPLASH: splash10-000i-0090000000-e9f27af35dfe96f8bcd7 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 200.144600 791733.000000 7 211.056500 791733.000000 7 285.087200 2049436.000000 18 286.939900 782601.000000 7 287.086400 115254170.000000 999 287.249300 1553713.000000 13 287.379600 2707899.000000 23 287.607700 1415105.000000 12 287.819600 960662.000000 8 288.096800 14273815.000000 124 289.092600 1159824.000000 10 290.237500 425895.000000 4 304.051700 425895.000000 4 316.065000 368746.000000 3 333.116900 367930.000000 3 339.018400 372540.000000 3 344.151100 579787.000000 5 346.597800 623141.000000 5 353.104300 779729.000000 7 359.015600 425895.000000 4 362.026200 526433.000000 5 370.097500 683978.000000 6 392.024300 627663.000000 5 401.268000 425895.000000 4 423.097600 1418953.000000 12 436.063400 372540.000000 3 449.102800 934579.000000 8 450.121700 634188.000000 5 450.611100 676496.000000 6 462.954400 372540.000000 3 476.240100 367930.000000 3 497.077900 577872.000000 5 531.638700 641405.000000 6 571.167000 2680911.000000 23 591.135400 615924.000000 5 593.146400 676496.000000 6 594.129800 1109430.000000 10 598.165400 710930.000000 6 604.150000 583440.000000 5 610.116900 2026952.000000 18 626.099900 1221742.000000 11 680.593100 425895.000000 4 735.169600 988980.000000 9 735.690800 577872.000000 5 935.827200 422331.000000 4 943.692800 732811.000000 6 1014.862000 416763.000000 4 1165.256300 520954.000000 5 1852.792200 867571.000000 8 //