ACCESSION: MSBNK-EPA-ENTACT_AGILENT000581
RECORD_TITLE: 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]
CH$NAME: DTXSID9047598
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈O₄S
CH$EXACT_MASS: 330.0925797934
CH$SMILES: C=CCC1C=C(C=CC=1O)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1
CH$IUPAC: InChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
CH$LINK: CAS 41481-66-7
CH$LINK: INCHIKEY MTMKZABGIQJAEX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:833466

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$FOCUSED_ION: PRECURSOR_M/Z 329.0853033417
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-0109000000-bf6a9c35ad8c5deae794
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  132.058063 10.061375 100
  148.052978 6.925595 69
  196.019963 2.459849 24
  250.099928 1.150983 11
  329.085303 100.000003 999
//