ACCESSION: MSBNK-EPA-ENTACT_AGILENT000313
RECORD_TITLE: 4-tert-Butylcatechol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-tert-Butylcatechol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.0993796912
CH$SMILES: CC(C)(C)C1=CC(O)=C(O)C=C1
CH$IUPAC: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
CH$LINK: CAS 98-29-3
CH$LINK: INCHIKEY XESZUVZBAMCAEJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7381

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$FOCUSED_ION: PRECURSOR_M/Z 165.0921032395
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0900000000-6b512ee8a89313d1b2c0
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  65.039674 1.170737 11
  91.018938 1.02194 10
  103.055324 1.382411 13
  106.042413 3.459975 34
  108.021678 6.122094 61
  109.029503 2.592291 25
  120.058063 1.189278 11
  121.065888 2.771218 27
  131.050238 1.645629 16
  132.021678 1.18836 11
  133.029503 22.71885 226
  134.037328 5.579327 55
  148.052978 22.012801 219
  149.060803 100.000004 999
  150.068628 1.033341 10
//