ACCESSION: MSBNK-EPA-ENTACT_AGILENT002423
RECORD_TITLE: 7-Amino-4-hydroxynaphthalene-2-sulfonic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 7-Amino-4-hydroxynaphthalene-2-sulfonic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉NO₄S
CH$EXACT_MASS: 239.0252285137
CH$SMILES: NC1=CC2C=C(C=C(O)C=2C=C1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
CH$LINK: CAS 87-02-5
CH$LINK: INCHIKEY KYARBIJYVGJZLB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6868

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

MS$FOCUSED_ION: PRECURSOR_M/Z 238.017952062
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-2390000000-d28cd75e77086548a248
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.003288 1.145494 11
  79.957363 20.828141 208
  80.965188 2.329987 23
  130.066223 2.167514 21
  132.045487 2.644206 26
  158.061137 6.510202 65
  174.056052 30.842374 308
  238.017952 100 999
//