MassBank Record: WA000368



 Efavirenz; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA000368
RECORD_TITLE: Efavirenz; LC-ESI-Q; MS; POS; 75 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$NAME: Efavirenz CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H9ClF3NO2 CH$EXACT_MASS: 315.02739 CH$SMILES: Clc(c3)cc(c(c3)1)C(C#CC(C2)C2)(OC(=O)N1)C(F)(F)F CH$IUPAC: InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 CH$LINK: CAS 154598-52-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 18.530 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
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0793000000-f28fe64b2592d0399119 PK$NUM_PEAK: 124 PK$PEAK: m/z int. rel.int. 100 24 24 102 8 8 107 12 12 109 27 27 115 31 31 118 16 16 119 12 12 122 8 8 127 27 27 128 27 27 129 20 20 131 8 8 135 35 35 138 110 110 139 35 35 140 47 47 141 78 78 143 35 35 145 12 12 149 24 24 151 90 90 152 12 12 153 43 43 154 16 16 157 12 12 158 16 16 159 8 8 161 16 16 162 59 59 164 125 125 165 94 94 166 125 125 167 752 752 168 999 999 169 204 204 170 43 43 171 8 8 172 35 35 173 20 20 174 55 55 175 63 63 176 59 59 177 71 71 180 20 20 182 51 51 188 251 251 189 259 259 190 133 133 192 82 82 193 16 16 194 35 35 195 47 47 196 63 63 197 121 121 198 74 74 200 74 74 201 219 219 202 286 286 203 223 223 204 157 157 205 59 59 206 55 55 208 31 31 209 47 47 210 12 12 212 114 114 213 20 20 214 71 71 215 114 114 216 161 161 217 98 98 218 12 12 219 24 24 220 78 78 222 235 235 224 454 454 226 141 141 227 16 16 229 20 20 230 43 43 232 513 513 234 157 157 235 94 94 236 141 141 237 306 306 238 39 39 239 35 35 241 8 8 244 333 333 246 168 168 247 8 8 250 149 149 252 141 141 254 39 39 256 12 12 257 20 20 270 31 31 272 153 153 273 16 16 274 55 55 278 47 47 279 12 12 294 12 12 296 8 8 298 31 31 299 12 12 300 12 12 316 721 721 317 74 74 318 239 239 319 12 12 333 106 106 335 47 47 338 262 262 340 71 71 341 20 20 354 149 149 356 71 71 357 8 8 358 12 12 360 71 71 362 27 27 364 8 8 369 12 12 //