MassBank Record: KO001856



 Sulfathiazole; 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: KO001856
RECORD_TITLE: Sulfathiazole; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 254 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01ot-9000000000-a27aed083057f42e702f PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 46.100 64356.5 40 63.900 1371288.5 862 65.000 569307.5 358 71.000 108911.0 68 78.800 613862.0 386 92.300 579208.5 364 97.900 1589110.5 999 108.300 34653.5 22 156.400 148515.0 93 //