MassBank Record: MSBNK-RIKEN-PR040091
ACCESSION: MSBNK-RIKEN-PR040091
RECORD_TITLE: Eriodictyol-7-O-glucoside; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2008.01.09, modified 2011.05.06)
AUTHORS: Matsuda F, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
CH$NAME: Eriodictyol-7-O-glucoside
CH$NAME: Pyracanthoside
CH$NAME: Erid_7_Glc
CH$NAME: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C21H22O11
CH$EXACT_MASS: 450.11621
CH$SMILES: OCC(O1)C(O)C(O)C(O)C1Oc(c4)cc(O2)c(c(O)4)C(=O)CC2c(c3)cc(O)c(O)c3
CH$IUPAC: InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1
CH$LINK: CAS
38965-51-4
CH$LINK: PUBCHEM
CID:3084727 SID:
CH$LINK: INCHIKEY
RAFHNDRXYHOLSH-SFTVRKLSSA-N
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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$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$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 451.1
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MassLynx 4.1
PK$SPLASH: splash10-0iki-0920000000-61176c6d2cb1878e0056
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
111.0052 287.7 33
123.0426 241.5 28
135.0438 346.4 40
139.0389 185.8 21
145.0284 972 113
153.0187 8305 968
153.0838 1441 167
154.0219 259.2 30
163.0398 8569 999
163.1067 1375 160
164.0439 401.9 46
179.0350 939.9 109
187.0410 409 47
205.0508 289.4 33
271.0623 388.4 45
289.0728 5174 603
289.1616 630.3 73
290.0775 399.8 46
//