ACCESSION: MSBNK-EPA-ENTACT_AGILENT002196
RECORD_TITLE: 2,6-Di(butan-2-yl)phenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,6-Di(butan-2-yl)phenol
CH$NAME: DTXSID0044440
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O
CH$EXACT_MASS: 206.1670653241
CH$SMILES: CC(CC)C1=CC=CC(C(C)CC)=C1O
CH$IUPAC: InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3
CH$LINK: CAS 5510-99-6
CH$LINK: INCHIKEY FHTGJZOULSYEOB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21685

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$FOCUSED_ION: PRECURSOR_M/Z 205.1597888724
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0090000000-93d56c2448971888c342
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  175.112839 3.686786 36
  189.128489 1.094306 10
  205.159789 99.999999 999
//