MassBank Record: MSBNK-RIKEN-PR040016
ACCESSION: MSBNK-RIKEN-PR040016
RECORD_TITLE: Eriodictyol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
DATE: 2016.01.19 (Created 2007.10.17, modified 2011.05.06)
AUTHORS: Matsuda F, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
CH$NAME: 3',4',5,7-tetrahydroxyflavanone
CH$NAME: Eriodictyol
CH$NAME: Erid
CH$NAME: (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H12O6
CH$EXACT_MASS: 288.06339
CH$SMILES: Oc(c3)c(O)cc(c3)[C@H](C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
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: CAS
4049-38-1 552-58-9 552-016-4
CH$LINK: KEGG
C05631
CH$LINK: PUBCHEM
CID:440735
CH$LINK: INCHIKEY
SBHXYTNGIZCORC-ZDUSSCGKSA-N
CH$LINK: COMPTOX
DTXSID70877706
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 eV
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)
MS$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 289.1
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MassLynx 4.1
PK$SPLASH: splash10-0f79-0950000000-70ad9d5c48c3fd3ab1fe
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
67.0075 259 21
68.9871 336 27
69.0238 318 25
89.0324 1627 132
111.0044 275 22
117.0308 1438 117
123.0419 437 35
135.0427 1402 114
145.0279 1486 120
153.0179 10510 855
153.0807 806 65
154.0219 251 20
163.0390 6190 503
163.1031 430 35
179.0340 663 53
187.0396 262 21
271.0607 276 22
289.0712 12270 999
289.1563 673 54
290.0755 730 59
//