ACCESSION: MSBNK-EPA-ENTACT_AGILENT002139
RECORD_TITLE: 3-tert-Butylphenol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-tert-Butylphenol
CH$NAME: DTXSID9044825
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.1044650689
CH$SMILES: CC(C)(C)C1C=C(O)C=CC=1
CH$IUPAC: InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
CH$LINK: CAS 585-34-2
CH$LINK: INCHIKEY CYEKUDPFXBLGHH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11450

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$SPLASH: splash10-0002-0900000000-ead4d7f65cee635ad610
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  133.065888 6.788588 67
  134.073714 6.217433 62
  149.097189 100.000002 999
//