ACCESSION: MSBNK-Univ_Toyama-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
CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022391

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$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT 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
//