ACCESSION: MSBNK-EPA-ENTACT_AGILENT002300
RECORD_TITLE: 4-Butylphenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Butylphenol
CH$NAME: DTXSID3047425
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CCCCC1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
CH$LINK: CAS 1638-22-8
CH$LINK: INCHIKEY CYYZDBDROVLTJU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15420

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$FOCUSED_ION: PRECURSOR_M/Z 149.0971886172
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0900000000-a6bb6dfac65ed04c2acd
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  105.034588 1.196406 11
  106.042413 100.000001 999
  106.078799 1.468971 14
  149.097189 41.559991 415
//