ACCESSION: MSBNK-EPA-ENTACT_AGILENT000736
RECORD_TITLE: 4,4'-(4-Methylpentane-2,2-diyl)diphenol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4,4'-(4-Methylpentane-2,2-diyl)diphenol
CH$NAME: DTXSID8029282
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₂O₂
CH$EXACT_MASS: 270.1619799464
CH$SMILES: CC(C)CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3
CH$LINK: CAS 6807-17-6
CH$LINK: INCHIKEY VHLLJTHDWPAQEM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:81259

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$FOCUSED_ION: PRECURSOR_M/Z 269.1547034947
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0190000000-8a266b840f5e48823559
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  93.034588 7.278876 72
  117.034588 3.688958 36
  132.058063 3.298864 32
  133.065888 2.717911 27
  168.058063 1.083997 10
  175.112839 1.284036 12
  196.052978 2.849028 28
  209.060803 1.141683 11
  210.068628 2.540963 25
  211.076453 100.000004 999
  212.084278 3.218129 32
//