MassBank Record: TY000119



 Apigenin; LC-ESI-ITTOF; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000119
RECORD_TITLE: Apigenin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.07.08, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Apigenin CH$NAME: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 4',5,7-Trihydroxy-flavone CH$NAME: 4',5,7-Trihydroxyflavone CH$NAME: 5,7,4'-Trihydroxyflavone CH$NAME: 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-one CH$NAME: 5,7-Dihydroxy-2-p-hydroxyphenyl-4-chromenone CH$NAME: Apegenin CH$NAME: Apigenine CH$NAME: Apigenol CH$NAME: Chamomile CH$NAME: Versulin CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C15H10O5 CH$EXACT_MASS: 270.05282 CH$SMILES: Oc(c3)ccc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H CH$LINK: CAS 520-36-5
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 16.401667 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 271.052300 MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-00di-0090000000-8c9e08f574b3194c523a PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 243.052900 13745.000000 3 271.052300 3974608.000000 999 271.210500 63099.000000 16 271.353000 81993.000000 21 271.558800 45983.000000 12 272.065800 640598.000000 161 273.065300 91660.000000 23 444.189400 24046.000000 6 563.066700 20314.000000 5 565.075200 31122.000000 8 579.049400 34854.000000 9 580.067300 13745.000000 3 606.018500 24046.000000 6 695.111600 17477.000000 4 695.618400 31122.000000 8 849.098700 27462.000000 7 1016.058600 13745.000000 3 //