ACCESSION: MSBNK-EPA-ENTACT_AGILENT002496
RECORD_TITLE: 4-Iodophenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Iodophenol
CH$NAME: DTXSID4052186
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅IO
CH$EXACT_MASS: 219.9385077818
CH$SMILES: OC1=CC=C(I)C=C1
CH$IUPAC: InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
CH$LINK: CAS 540-38-5
CH$LINK: INCHIKEY VSMDINRNYYEDRN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10894

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$FOCUSED_ION: PRECURSOR_M/Z 218.9312313301
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-0900000000-2dd88233f8fb04354b09
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
126.905017 100.000002 999
218.931231 8.040315 80
//