ACCESSION: MSBNK-EPA-ENTACT_AGILENT001796
RECORD_TITLE: 4,4',4''-Ethane-1,1,1-triyltriphenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4,4',4''-Ethane-1,1,1-triyltriphenol
CH$NAME: DTXSID2037712
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₈O₃
CH$EXACT_MASS: 306.1255944411
CH$SMILES: CC(C1C=CC(O)=CC=1)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3
CH$LINK: CAS 27955-94-8
CH$LINK: INCHIKEY BRPSWMCDEYMRPE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:93118

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$FOCUSED_ION: PRECURSOR_M/Z 305.1183179894
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-052f-0096000000-7dcc833232b02292ab78
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  93.034588 1.079804 10
  211.076453 14.304032 142
  289.087018 3.526878 35
  290.094843 99.999999 999
  291.102668 1.844932 18
  305.118318 81.536831 814
//