MassBank Record: KO001853



 Sulfathiazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001853
RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 254 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0pb9-4980000000-f023f391d35f708b88c6 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 46.000 74257.5 8 79.200 881189.0 97 93.000 99010.0 11 97.100 138614.0 15 98.000 3306934.0 364 113.900 69307.0 8 130.100 316832.0 35 151.000 9901.0 1 156.200 9069316.0 999 171.400 24752.5 3 185.800 163366.5 18 190.000 183168.5 20 218.200 331683.5 37 254.400 8851494.0 975 //