ACCESSION: MSBNK-EPA-ENTACT_AGILENT001090
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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

PK$SPLASH: splash10-0006-3790000000-4588f54fd03ce583f2fc
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  43.054227 5.090645 50
  51.022927 1.760261 17
  77.038577 34.835531 348
  93.033491 1.347576 13
  118.02874 2.154274 21
  120.04439 4.120122 41
  121.028406 23.636061 236
  146.023655 49.473067 494
  194.06004 1.011381 10
  212.070605 1.429948 14
  222.054955 1.32681 13
  240.06552 100.000004 999
//