MassBank Record: KO001852



 Sulfathiazole; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001852
RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 254 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0090000000-67d88e77f2bf9487a1ec PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 92.900 69307.0 2 98.200 49505.0 1 114.100 19802.0 1 129.800 331683.5 9 150.700 29703.0 1 156.300 173267.5 5 184.700 14851.5 1 218.500 2435646.0 65 221.500 89109.0 2 254.100 37371324.5 999 //