MassBank Record: MSBNK-BS-BS003464
ACCESSION: MSBNK-BS-BS003464
RECORD_TITLE: Eriodictyol; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
DATE: 2017.12.01 (Created 2013.11.23)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA
CH$NAME: Eriodictyol
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C15H12O6
CH$EXACT_MASS: 288.0634
CH$SMILES: C1(C(OC2=C(C(=C(C(=C2C1=O)O[H])[H])O[H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])O[H])[H])[H])([H])[H]
CH$IUPAC: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
CH$LINK: INCHIKEY
SBHXYTNGIZCORC-ZDUSSCGKSA-N
CH$LINK: CAS
552-58-9
CH$LINK: COMPTOX
DTXSID70877706
AC$INSTRUMENT: Bruker impact HD
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.015
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8819-1505.22
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 456.6 sec
MS$FOCUSED_ION: PRECURSOR_M/Z 285.0395
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-052r-0090000000-9178a74a6239d2ef3882
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
135.0454 48 48
151.0034 90 90
229.0527 52 52
241.0508 48 48
255.0286 463 463
256.0310 121 121
257.0453 75 75
283.0242 55 55
284.0291 35 35
285.0395 999 999
286.0413 99 99
287.0485 33 33
//