MassBank Record: MSBNK-EPA-ENTACT_AGILENT000882

1-Naphthylsulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000882
RECORD_TITLE: 1-Naphthylsulfonic 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$NAME: 1-Naphthylsulfonic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₃S
CH$EXACT_MASS: 208.0194148521
CH$SMILES: OS(=O)(=O)C1=CC=CC2C=CC=CC=21
CH$IUPAC: InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
CH$LINK: CAS 85-47-2
CH$LINK: INCHIKEY PSZYNBSKGUBXEH-UHFFFAOYSA-N

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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$FOCUSED_ION: PRECURSOR_M/Z 207.0121384004
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-004i-9200000000-ab5c3ab1a5108e7082f3
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  79.957363 99.999999 999
  79.990378 5.924892 59
  115.055324 3.247432 32
  143.050238 20.971732 209
//