ACCESSION: MSBNK-EPA-ENTACT_AGILENT002069
RECORD_TITLE: 4-(Butan-2-yl)phenol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-(Butan-2-yl)phenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CC(CC)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
CH$LINK: CAS 99-71-8
CH$LINK: INCHIKEY ZUTYZAFDFLLILI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7453

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$SPLASH: splash10-0002-0900000000-dc19d6fa5b8f452248d0
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  119.050238 4.096906 40
  120.058063 4.56666 45
  134.073714 1.527902 15
  149.097189 100.000003 999
//