ACCESSION: MSBNK-EPA-ENTACT_AGILENT000196
RECORD_TITLE: Tetrabutyl ethylidenebisphenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tetrabutyl ethylidenebisphenol
CH$NAME: DTXSID4038899
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₄₆O₂
CH$EXACT_MASS: 438.349780712
CH$SMILES: CC(C1C=C(C=C(C=1O)C(C)(C)C)C(C)(C)C)C1C=C(C=C(C=1O)C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3
CH$LINK: CAS 35958-30-6
CH$LINK: INCHIKEY DXCHWXWXYPEZKM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:118899

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$FOCUSED_ION: PRECURSOR_M/Z 437.3425042603
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0020900000-e81bc1746ff86ecdb814
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  205.159789 22.658811 226
  231.175439 1.888082 18
  437.342504 100 999
//