ACCESSION: MSBNK-EPA-ENTACT_AGILENT002424
RECORD_TITLE: 7-Amino-4-hydroxynaphthalene-2-sulfonic acid; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-004i-9100000000-a01dd00a7613e9d688b2
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41.003288 8.124607 81
  79.957363 100 999
  79.990378 2.188885 21
  80.965188 11.793649 117
  129.058398 2.91782 29
  130.066223 2.31829 23
  132.045487 4.562295 45
  158.061137 4.302949 42
  174.056052 6.193437 61
//