ACCESSION: MSBNK-EPA-ENTACT_AGILENT001795
RECORD_TITLE: 4,4',4''-Ethane-1,1,1-triyltriphenol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-01p9-1190000000-74722ed6b1d334324255
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  77.039674 1.338234 13
  93.034588 31.505937 314
  117.034588 12.260312 122
  119.050238 2.265963 22
  167.050238 1.405255 14
  168.058063 3.736724 37
  195.045153 1.494231 14
  196.031849 1.034847 10
  196.052978 10.068767 100
  208.052978 1.291792 12
  209.060803 3.28698 32
  210.068628 3.621223 36
  211.076453 68.347221 682
  211.112839 2.632299 26
  212.084278 1.73707 17
  259.076453 1.247474 12
  289.087018 100.000003 999
  290.094843 8.263681 82
//