ACCESSION: MSBNK-Keio_Univ-KO000274
RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A177

CH$NAME: 8-Anilino-1-naphthalene sulfonate
CH$NAME: 1-Anilino-8-naphthalenesulfonate
CH$NAME: 8-Anilino-1-naphthalene sulfonic acid
CH$NAME: ANS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃NO₃S
CH$EXACT_MASS: 299.06161
CH$SMILES: c(c3)ccc(c3)Nc(c2)c(c(cc2)1)c(ccc1)S(O)(=O)=O
CH$IUPAC: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
CH$LINK: CAS 82-76-8
CH$LINK: KEGG C11326
CH$LINK: NIKKAJI J4.618C
CH$LINK: PUBCHEM SID:13501
CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7058882

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 298
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-0090000000-951fefb571a3261b6f30
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  59.100 49505.0 12
  97.200 99010.0 24
  118.800 34653.5 9
  178.700 133663.5 33
  259.900 14851.5 4
  298.500 4059410.0 999
//