MassBank Record: MSBNK-EPA-ENTACT_AGILENT000992

alpha-(2,5-Dichlorophenoxy)propionic acid; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000992
RECORD_TITLE: alpha-(2,5-Dichlorophenoxy)propionic acid; 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$NAME: alpha-(2,5-Dichlorophenoxy)propionic acid
CH$NAME: DTXSID5020441
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈Cl₂O₃
CH$EXACT_MASS: 233.9850495421
CH$SMILES: CC(OC1C=C(Cl)C=CC=1Cl)C(O)=O
CH$IUPAC: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)
CH$LINK: CAS 6965-71-5
CH$LINK: INCHIKEY LDRYOEIGQCIMEK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:97971

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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$FOCUSED_ION: PRECURSOR_M/Z 232.9777730904
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-03di-0900000000-415bcadfa39e0d8a8606
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  34.969401 2.705413 27
  124.979966 4.274447 42
  160.956644 99.999997 999
  161.001095 1.986667 19
//