MassBank Record: MSBNK-EPA-ENTACT_AGILENT001091
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
//