ACCESSION: MSBNK-Keio_Univ-KO000276
RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001j-5090000000-afe8d593924605ca15cb
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  58.600 39604.0 81
  80.100 400990.5 817
  97.200 232673.5 474
  98.200 19802.0 40
  157.200 19802.0 40
  157.900 39604.0 81
  205.000 24752.5 50
  216.000 59406.0 121
  218.600 193069.5 394
  234.200 490099.5 999
  298.300 301980.5 616
//