ACCESSION: MSBNK-EPA-ENTACT_AGILENT002137
RECORD_TITLE: 3-tert-Butylphenol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-001i-0900000000-7d86fdbb5f94e87ce16a
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  65.039674 2.799208 27
  92.026763 3.121967 31
  93.034588 1.144124 11
  105.070974 2.549815 25
  117.034588 37.155199 371
  118.042413 6.365395 63
  119.050238 2.25765 22
  132.058063 2.197196 21
  133.065888 100 999
//