ACCESSION: MSBNK-EPA-ENTACT_AGILENT002486
RECORD_TITLE: 2-tert-Butyl-4-methylphenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-tert-Butyl-4-methylphenol
CH$NAME: DTXSID2020212
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O
CH$EXACT_MASS: 164.1201151327
CH$SMILES: CC1C=CC(O)=C(C=1)C(C)(C)C
CH$IUPAC: InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
CH$LINK: CAS 2409-55-4
CH$LINK: INCHIKEY IKEHOXWJQXIQAG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17004

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$FOCUSED_ION: PRECURSOR_M/Z 163.112838681
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0900000000-83a1758c9b14b46414c9
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  107.050238 5.438079 54
  147.081539 8.302729 82
  163.112839 99.999998 999
//