MassBank Record: JP010733



 BENSULIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP010733
RECORD_TITLE: BENSULIDE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BENSULIDE CH$NAME: O,O-DIISOPROPYL S-2-BENZENESULFONAMINOETHYLPHOSPHORODITHIOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H24NO4PS3 CH$EXACT_MASS: 397.06051 CH$SMILES: CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3 CH$LINK: INCHIKEY RRNIZKPFKNDSRS-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00si-1930000000-bf0e986e543d9007232d PK$NUM_PEAK: 69 PK$PEAK: m/z int. rel.int. 30 2.53 25 39 1.94 19 40 1.15 12 41 5.7 57 42 5.64 56 43 10.41 104 44 1.59 16 45 1.16 12 59 2.64 26 60 2.81 28 61 1.38 14 65 2.6 26 74 4.16 42 75 3.11 31 76 7.38 74 77 25.85 259 78 2.86 29 92 13.88 139 93 1.74 17 97 4.17 42 98 2.03 20 106 1.59 16 107 7.52 75 118 10.44 104 119 28.12 281 120 2.61 26 124 2.34 23 125 8.65 87 126 1.87 19 129 4.69 47 130 49.56 496 131 72.08 721 132 6.13 61 133 6.03 60 138 4.09 41 139 12.84 128 140 4.57 46 141 44.21 442 142 3.54 35 143 3.94 39 144 13.2 132 145 1.72 17 146 1.23 12 155 1.52 15 156 19.77 198 157 6.43 64 158 8.47 85 159 1.11 11 170 48.47 485 171 5.43 54 172 70.36 704 173 8.91 89 175 5.41 54 183 20.97 210 184 36.95 370 185 4.49 45 186 3.07 31 198 2.25 23 200 1.22 12 214 64.84 648 215 99.99 999 216 14.78 148 217 11.72 117 218 3.97 40 256 13.81 138 258 1.45 15 278 1.38 14 296 5.64 56 397 0.39 4 //