MassBank Record: MSBNK-EPA-ENTACT_AGILENT000941

Phenylparaben; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000941
RECORD_TITLE: Phenylparaben; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Phenylparaben
CH$NAME: DTXSID4047882
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₃
CH$EXACT_MASS: 214.0629941859
CH$SMILES: OC1C=CC(=CC=1)C(=O)OC1C=CC=CC=1
CH$IUPAC: InChI=1S/C13H10O3/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,14H
CH$LINK: CAS 17696-62-7
CH$LINK: INCHIKEY GJLNWLVPAHNBQN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:87250

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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 20

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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$SPLASH: splash10-0006-9000000000-331b39ea5c268c147a56
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  93.034588 100.000004 999
  93.070974 5.579429 55
//