MassBank Record: MSBNK-EPA-ENTACT_AGILENT000464

3-Phenoxybenzoic acid; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000464
RECORD_TITLE: 3-Phenoxybenzoic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 3-Phenoxybenzoic acid
CH$NAME: DTXSID1038321
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₃
CH$EXACT_MASS: 214.0629941859
CH$SMILES: OC(=O)C1=CC(=CC=C1)OC1C=CC=CC=1
CH$IUPAC: InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
CH$LINK: CAS 3739-38-6
CH$LINK: INCHIKEY NXTDJHZGHOFSQG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:19539

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 213.0557177342
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0006-9000000000-92f4b1d2c5a70f27bf72
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  65.039674 1.597167 15
  93.034588 99.999997 999
  93.070974 2.799995 27
//