ACCESSION: MSBNK-EPA-ENTACT_AGILENT001091
RECORD_TITLE: 5HPP-33; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0a4i-0039000000-c01cd1ea7575d9431629
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.998537 1.856247 18
  91.018938 1.085123 10
  92.026763 1.84282 18
  120.021678 1.052519 10
  161.011842 3.006125 30
  221.084613 1.410945 14
  234.092438 1.003348 10
  235.100263 1.578126 15
  236.071702 2.114811 21
  248.108088 9.715383 97
  251.095177 6.232053 62
  262.123738 11.223429 112
  263.131563 1.091124 10
  264.103002 1.860547 18
  290.082267 3.376117 33
  291.090092 2.570755 25
  306.113567 99.999997 999
  307.121392 4.735732 47
  322.144867 8.866824 88
//