MassBank Record: BS003489



 6,7,3',4'-Tetrahydroxyflavanone; LC-ESI-QTOF; MS; CE:10 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BS003489
RECORD_TITLE: 6,7,3',4'-Tetrahydroxyflavanone; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
DATE: 2017.12.01 (2013.11.20)
AUTHORS: , Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA 4.0 International

CH$NAME: 6,7,3',4'-Tetrahydroxyflavanone CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C15H12O6 CH$EXACT_MASS: 288.0634 CH$SMILES: C1(=C(C=C2C(=C1)OC(CC2=O)C3=CC=C(C(=C3)O)O)O)O CH$IUPAC: InChI=1S/C15H12O6/c16-9-2-1-7(3-11(9)18)14-5-10(17)8-4-12(19)13(20)6-15(8)21-14/h1-4,6,14,16,18-20H,5H2 CH$LINK: INCHIKEY ZIKILYZOICUSQT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:12314367
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.017 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.878-1505.17 AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid AC$CHROMATOGRAPHY: RETENTION_TIME 264 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-000i-0090010000-1f8938e7da575839a3b3 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 111.0088 24 24 135.0439 34 34 151.0017 81 81 161.0222 11 11 164.9806 10 10 197.0592 12 12 199.0386 20 20 215.0340 14 14 223.0394 67 67 224.0435 12 12 241.0506 161 161 242.0534 22 22 257.0460 16 16 267.0306 120 120 268.0338 19 19 285.0416 287 287 286.0446 43 43 287.0576 999 999 288.0606 128 128 289.0626 17 17 299.0209 41 41 301.0365 58 58 303.0519 54 54 309.0388 12 12 317.0309 21 21 319.0466 18 18 571.0876 18 18 573.1032 34 34 574.1054 11 11 575.1193 75 75 576.1227 21 21 583.0518 29 29 585.0676 56 56 586.0704 15 15 587.0831 32 32 597.0988 10 10 599.0467 15 15 601.0615 19 19 603.0782 25 25 605.0945 16 16 628.0323 10 10 //

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