ACCESSION: MSBNK-Univ_Toyama-TY000149
RECORD_TITLE: Myricetin; 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$NAME: Myricetin
CH$NAME: 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
CH$NAME: 3,3',4',5,5',7-Hexahydroxy-flavone
CH$NAME: 3,3',4',5,5',7-Hexahydroxyflavone
CH$NAME: 3,5,7,3',4',5'-Hexahydroxyflavone
CH$NAME: Cannabiscetin
CH$NAME: Myricetol
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C15H10O8
CH$EXACT_MASS: 318.03757
CH$SMILES: Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c(O)2
CH$IUPAC: InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
CH$LINK: CAS
529-44-2
CH$LINK: INCHIKEY
IKMDFBPHZNJCSN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8022400
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.835000 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN
MS$FOCUSED_ION: BASE_PEAK 319.044700
PK$SPLASH: splash10-014i-0009000000-53a8ef15995d43417d39
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
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//
