MassBank Record: WA001754



 Althiazide; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA001754
RECORD_TITLE: Althiazide; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.10.25)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Althiazide CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14ClN3O4S3 CH$EXACT_MASS: 382.98350 CH$SMILES: C=CCSCC(N1)NS(=O)(=O)c(c2)c1cc(Cl)c2S(N)(=O)=O CH$IUPAC: InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17) CH$LINK: CAS 5588-16-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.800 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0w2c-0669800000-9b024696ae71c1e10259 PK$ANNOTATION: m/z type 384 [M+H]+ 401 [M+NH4]+ 406 [M+Na]+ 422 [M+K]+ PK$NUM_PEAK: 190 PK$PEAK: m/z int. rel.int. 100 78 78 101 82 82 104 71 71 109 27 27 112 482 482 113 59 59 114 196 196 116 27 27 121 43 43 122 595 595 123 63 63 124 24 24 126 43 43 130 51 51 131 24 24 132 27 27 134 51 51 135 43 43 137 39 39 142 35 35 144 31 31 152 20 20 160 24 24 163 55 55 165 43 43 166 20 20 173 16 16 175 24 24 178 47 47 181 35 35 184 20 20 187 27 27 190 20 20 193 51 51 194 24 24 197 12 12 198 12 12 203 31 31 206 16 16 215 39 39 216 12 12 221 12 12 223 55 55 225 20 20 226 16 16 227 35 35 229 24 24 236 16 16 237 8 8 238 67 67 240 90 90 241 27 27 242 90 90 244 12 12 246 59 59 247 12 12 248 31 31 249 31 31 254 16 16 256 16 16 261 51 51 262 874 874 263 125 125 264 270 270 265 39 39 266 31 31 267 16 16 269 71 71 270 16 16 271 12 12 272 12 12 273 12 12 274 24 24 277 24 24 278 51 51 279 39 39 280 16 16 281 63 63 282 12 12 283 12 12 286 12 12 287 71 71 289 20 20 291 12 12 293 20 20 294 16 16 297 31 31 299 16 16 300 16 16 302 427 427 303 27 27 304 110 110 305 16 16 306 35 35 307 43 43 309 16 16 310 12 12 311 8 8 313 16 16 314 27 27 319 20 20 321 8 8 325 31 31 327 31 31 328 20 20 330 12 12 332 12 12 333 12 12 339 8 8 342 811 811 343 27 27 344 427 427 345 16 16 346 16 16 347 12 12 348 8 8 351 16 16 353 8 8 359 8 8 366 8 8 367 255 255 368 35 35 369 133 133 370 8 8 373 8 8 378 8 8 382 12 12 384 533 533 385 121 121 386 345 345 387 8 8 388 12 12 389 12 12 395 8 8 399 8 8 401 999 999 402 133 133 403 396 396 404 12 12 405 47 47 406 317 317 407 31 31 408 121 121 410 12 12 413 8 8 415 16 16 419 8 8 420 12 12 422 235 235 424 208 208 425 35 35 426 20 20 427 16 16 429 16 16 432 8 8 433 8 8 438 8 8 439 8 8 442 51 51 444 24 24 445 24 24 446 12 12 447 282 282 448 16 16 449 94 94 450 20 20 454 12 12 463 51 51 465 27 27 466 8 8 469 16 16 470 8 8 471 8 8 482 8 8 483 8 8 486 8 8 488 31 31 490 8 8 493 12 12 504 8 8 505 12 12 518 8 8 527 35 35 544 8 8 550 12 12 567 8 8 595 16 16 598 8 8 608 8 8 610 8 8 //