MassBank Record: KO000276



 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:13501
AC$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 //