ACCESSION: MSBNK-EPA-ENTACT_AGILENT000737
RECORD_TITLE: 4,4'-(4-Methylpentane-2,2-diyl)diphenol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03xr-0090000000-5556cc09b795e1e221d8
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  175.112839 2.390131 23
  211.076453 21.335508 213
  212.084278 99.999996 999
  254.131228 2.400784 23
  269.154703 74.69708 746
//