MassBank Record: WA000222



 Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000222
RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Thifensulfuron-methyl CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13N5O6S2 CH$EXACT_MASS: 387.03072 CH$SMILES: COc(n2)nc(nc(C)2)NC(=O)NS(=O)(=O)c(c1)c(sc1)C(=O)OC CH$IUPAC: InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19) CH$LINK: CAS 79277-27-3
AC$INSTRUMENT: QuattroPremier XE, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 388 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-1920000000-857ff8caf49f68039197 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 56 98 98 58 31 31 69 16 16 78 12 12 83 63 63 85 8 8 110 8 8 126 35 35 141 172 172 167 999 999 168 20 20 175 43 43 190 8 8 205 349 349 206 12 12 216 8 8 //