MassBank Record: KO001855



 Sulfathiazole; 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: KO001855
RECORD_TITLE: Sulfathiazole; 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 S079

CH$NAME: Sulfathiazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9N3O2S2 CH$EXACT_MASS: 255.01362 CH$SMILES: Nc(c2)ccc(c2)S(=O)(=O)Nc(n1)scc1 CH$IUPAC: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) CH$LINK: CAS 72-14-0 CH$LINK: KEGG C11169 CH$LINK: NIKKAJI J1.425G CH$LINK: PUBCHEM SID:13351
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 254 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9200000000-c1ee875d073a3fcaacfb PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 46.000 79208.0 23 64.000 1108912.0 327 65.300 336634.0 99 70.900 133663.5 39 79.000 955446.5 281 92.200 1440595.5 424 98.100 3391092.5 999 107.900 143564.5 42 130.200 34653.5 10 155.900 1608912.5 474 //