ACCESSION: MSBNK-EPA-ENTACT_AGILENT001094
RECORD_TITLE: 5HPP-33; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 322.1448670925
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0009000000-a9a3b7357b8d528fcfb4
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  306.113567 2.100802 20
  307.121392 1.952122 19
  322.144867 100.000001 999
//