ACCESSION: MSBNK-EPA-ENTACT_AGILENT000761
RECORD_TITLE: 2-Naphthol-3,6-disulfonic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Naphthol-3,6-disulfonic acid
CH$NAME: DTXSID8044543
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₇S₂
CH$EXACT_MASS: 303.9711440713
CH$SMILES: OC1=CC2C=CC(=CC=2C=C1S(O)(=O)=O)S(O)(=O)=O
CH$IUPAC: InChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
CH$LINK: CAS 148-75-4
CH$LINK: INCHIKEY USWINTIHFQKJTR-UHFFFAOYSA-N

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

MS$FOCUSED_ION: PRECURSOR_M/Z 302.9638676196
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-05i3-3960000000-7b02cd41bd14dad7e108
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  79.957363 52.868161 528
  80.965188 1.126526 11
  115.055324 1.73977 17
  130.042413 1.424208 14
  131.050238 12.56198 125
  141.034588 2.508092 25
  143.050238 50.870646 508
  158.037328 1.764046 17
  159.045153 78.260945 781
  223.007053 99.999996 999
//