MassBank Record: MSBNK-IPB_Halle-PB005703
ACCESSION: MSBNK-IPB_Halle-PB005703
RECORD_TITLE: Kaempferol; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2141
COMMENT: CONFIDENCE confident structure
CH$NAME: Kaempferol
CH$NAME: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04774
CH$SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
CH$IUPAC: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
CH$LINK: INCHIKEY
IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:5280863
CH$LINK: COMPTOX
DTXSID7020768
AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0090000000-940cf7849b98a1a9dcf6
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
153.019 10.010 0
213.051 30.030 2
231.060 30.030 2
241.046 30.030 2
244.933 10.010 0
258.049 60.060 5
259.055 20.020 1
269.044 10.010 0
287.050 10000.000 999
287.428 10.010 0
288.054 1191.191 118
289.056 50.050 4
//
system version 2.2.6-SNAPSHOT