ACCESSION: MSBNK-EPA-ENTACT_AGILENT000845
RECORD_TITLE: 2,6-Di-tert-butyl-4-nitrophenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,6-Di-tert-butyl-4-nitrophenol
CH$NAME: DTXSID4021559
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₁NO₃
CH$EXACT_MASS: 251.1521435442
CH$SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+]([O-])=O
CH$IUPAC: InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
CH$LINK: CAS 728-40-5
CH$LINK: INCHIKEY FCGKUUOTWLWJHE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:69765

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$FOCUSED_ION: PRECURSOR_M/Z 250.1448670925
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0090000000-ea92b3e1701f2d707dc6
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
235.121392 1.602718 16
250.144867 100.000001 999
//