MassBank Record: WA001055



 Meprobamate; LC-ESI-Q; MS; POS; 60 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001055
RECORD_TITLE: Meprobamate; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Meprobamate CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H18N2O4 CH$EXACT_MASS: 218.12666 CH$SMILES: CCCC(C)(COC(N)=O)COC(N)=O CH$IUPAC: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13) CH$LINK: CAS 57-53-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.950 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 60 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4l-0291200000-bc5c9e8ea33b4b0b0004 PK$ANNOTATION: m/z type 219 [M+H]+ 241 [M+Na]+ 257 [M+K]+ PK$NUM_PEAK: 117 PK$PEAK: m/z int. rel.int. 100 82 82 101 8 8 102 12 12 113 12 12 114 31 31 117 8 8 118 20 20 122 8 8 123 12 12 125 16 16 126 16 16 127 8 8 131 8 8 136 8 8 141 39 39 145 16 16 153 20 20 155 12 12 157 12 12 158 67 67 159 20 20 162 20 20 165 8 8 167 12 12 168 8 8 171 35 35 177 8 8 181 20 20 182 24 24 183 16 16 184 16 16 187 8 8 189 24 24 191 12 12 193 12 12 194 16 16 195 12 12 196 12 12 198 8 8 200 12 12 204 8 8 205 12 12 207 12 12 210 8 8 212 16 16 213 12 12 214 20 20 217 16 16 219 39 39 223 20 20 224 8 8 230 20 20 231 8 8 232 8 8 233 16 16 235 35 35 236 35 35 237 20 20 239 12 12 241 999 999 242 118 118 243 12 12 244 8 8 245 8 8 250 12 12 251 12 12 255 24 24 257 780 780 258 110 110 259 59 59 260 20 20 266 8 8 267 12 12 274 8 8 275 8 8 279 8 8 282 43 43 283 8 8 295 8 8 298 8 8 299 24 24 301 12 12 302 16 16 303 12 12 309 55 55 310 8 8 314 12 12 318 8 8 320 8 8 321 16 16 325 114 114 327 12 12 339 8 8 342 8 8 344 8 8 345 16 16 354 12 12 355 8 8 361 12 12 363 12 12 366 8 8 372 8 8 373 8 8 377 8 8 386 8 8 396 12 12 397 8 8 400 8 8 408 12 12 412 8 8 454 27 27 455 8 8 459 357 357 460 106 106 461 12 12 475 78 78 476 8 8 //