MassBank Record: MSBNK-EPA-ENTACT_AGILENT001093

5HPP-33; ESI-QTOF; MS2; CE: 10; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001093
RECORD_TITLE: 5HPP-33; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 5HPP-33
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₁NO₃
CH$EXACT_MASS: 323.1521435442
CH$SMILES: CC(C)C1C=CC=C(C(C)C)C=1N1C(=O)C2C=C(O)C=CC=2C1=O
CH$IUPAC: InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3
CH$LINK: CAS 105624-86-0
CH$LINK: INCHIKEY LAKWINYVWJPHQW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11723708

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 324.1594199959
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-000x-0090000000-3c35689e3d4cd179b560
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  240.06552 99.999997 999
  282.11247 79.045679 789
  324.15942 16.311425 162
//