ACCESSION: MSBNK-EPA-ENTACT_AGILENT002070
RECORD_TITLE: 4-(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$NAME: 4-(Butan-2-yl)phenol
CH$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 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$SPLASH: splash10-00kb-0900000000-2d96513868735fc84f51
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  65.003288 1.387413 13
  93.034588 1.203618 12
  119.050238 90.308759 902
  119.086624 1.258045 12
  120.058063 22.568228 225
  121.065888 1.020045 10
  133.065888 5.576657 55
  134.073714 11.280113 112
  149.097189 100.000002 999
//