ACCESSION: MSBNK-EPA-ENTACT_AGILENT002299
RECORD_TITLE: 4-Butylphenol; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0002-0900000000-2718c64ff5d9133f2c5c
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
106.042413 25.894313 258
149.097189 100 999
//