MassBank Record: WA000362



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

ACCESSION: WA000362
RECORD_TITLE: Triazolam; LC-ESI-Q; MS; POS; 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$NAME: Triazolam CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H12Cl2N4 CH$EXACT_MASS: 342.04390 CH$SMILES: Clc(c3)cc(C=1c(c4)c(Cl)ccc4)c(c3)n(c(C)2)c(nn2)CN1 CH$IUPAC: InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 CH$LINK: CAS 28911-01-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.300 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-05n3-0495000000-9f65c5dc204ed023709c PK$NUM_PEAK: 137 PK$PEAK: m/z int. rel.int. 101 71 71 102 149 149 103 94 94 104 16 16 111 145 145 113 55 55 115 31 31 116 16 16 125 20 20 126 12 12 127 35 35 129 39 39 130 74 74 131 12 12 137 24 24 138 290 290 140 102 102 141 16 16 142 20 20 143 24 24 150 12 12 151 8 8 152 35 35 154 16 16 162 43 43 163 121 121 165 309 309 167 90 90 168 20 20 169 8 8 170 8 8 171 180 180 172 20 20 175 8 8 176 24 24 177 55 55 178 12 12 179 16 16 189 8 8 190 59 59 191 27 27 192 8 8 196 16 16 198 12 12 199 16 16 200 8 8 201 16 16 202 27 27 203 114 114 204 219 219 205 172 172 206 114 114 208 27 27 212 39 39 213 20 20 214 27 27 215 12 12 216 20 20 217 55 55 218 78 78 219 16 16 224 20 20 225 47 47 226 27 27 227 27 27 228 12 12 230 8 8 231 31 31 232 55 55 233 20 20 235 8 8 237 12 12 238 114 114 239 999 999 240 235 235 241 345 345 242 67 67 243 27 27 244 27 27 245 51 51 246 16 16 247 8 8 248 8 8 250 71 71 251 27 27 252 90 90 253 239 239 254 63 63 255 74 74 256 12 12 258 27 27 260 24 24 261 39 39 262 16 16 263 27 27 265 39 39 266 27 27 267 47 47 268 12 12 269 12 12 272 27 27 273 71 71 274 43 43 275 78 78 276 27 27 277 43 43 279 129 129 280 94 94 281 90 90 282 39 39 283 16 16 285 16 16 286 12 12 287 16 16 288 12 12 289 39 39 290 12 12 291 27 27 292 8 8 307 16 16 308 756 756 309 90 90 310 270 270 311 51 51 313 8 8 315 505 505 317 341 341 318 59 59 319 59 59 320 12 12 343 349 349 345 235 235 346 43 43 347 43 43 348 8 8 365 20 20 367 12 12 //