MassBank Record: KO000277



 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000277
RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 298 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9220000000-0a72c42bfb56dc661288 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 79.900 841585.0 999 96.900 163366.5 194 111.300 14851.5 18 142.500 19802.0 24 156.900 69307.0 82 158.200 138614.0 165 216.200 143564.5 170 218.100 64356.5 76 234.200 54455.5 65 //