diff --git a/TUAT/MSBNK-TUAT-MSDIAL24082900000039.txt b/TUAT/MSBNK-TUAT-MSDIAL24082900000039.txt new file mode 100644 index 00000000000..9cfc612879c --- /dev/null +++ b/TUAT/MSBNK-TUAT-MSDIAL24082900000039.txt @@ -0,0 +1,1147 @@ +ACCESSION: MSBNK-TUAT-MSDIAL24082900000039 +RECORD_TITLE: Apigenin; LC-ESI-QTOF; MS2 +DATE: 2024.08.29 +AUTHORS: Tsugawa H +LICENSE: CC BY +CH$NAME: Apigenin +CH$COMPOUND_CLASS: Flavonoids +CH$FORMULA: C15H10O5 +CH$EXACT_MASS: 270.05271 +CH$SMILES: OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 +CH$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 +AC$INSTRUMENT: ZenoTOF 7600 +AC$INSTRUMENT_TYPE: LC-ESI-QTOF +AC$MASS_SPECTROMETRY: MS_TYPE MS2 +AC$MASS_SPECTROMETRY: ION_MODE POSITIVE +AC$CHROMATOGRAPHY: RETENTION_TIME 0.561266666666667 +MS$FOCUSED_ION: PRECURSOR_M/Z 271.05999 +MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ +PK$SPLASH: splash10-00di-1490000000-d535b9d991f0673cf4dc +PK$ANNOTATION: m/z type + 50.01363 none + 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