MassBank Record: WA000516



 Fonazine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000516
RECORD_TITLE: Fonazine; LC-ESI-Q; MS; POS; 75 V, 90 V
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$NAME: Fonazine CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H25N3O2S2 CH$EXACT_MASS: 391.13882 CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1 CH$IUPAC: InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3 CH$LINK: CAS 7456-24-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.260 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01ot-0592000000-f4153683f2f2e81c769b PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 154 39 39 186 43 43 197 43 43 198 999 999 199 137 137 200 47 47 204 39 39 205 71 71 206 35 35 207 12 12 210 12 12 211 43 43 212 16 16 214 717 717 215 98 98 216 35 35 223 137 137 224 133 133 225 24 24 226 12 12 237 47 47 238 153 153 239 215 215 240 43 43 262 145 145 263 16 16 264 16 16 276 12 12 287 16 16 305 235 235 306 63 63 307 24 24 315 12 12 319 27 27 346 39 39 347 47 47 348 12 12 392 55 55 393 12 12 408 12 12 //