MassBank Record: WA000544

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Flumazenil; LC-ESI-Q; MS; POS; 75 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA000544
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (2008.09.25, 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Flumazenil CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H14FN3O3 CH$EXACT_MASS: 303.10192 CH$SMILES: CCOC(=O)c(n3)c(C1)n(c3)c(c2)c(cc(F)c2)C(=O)N(C)1 CH$IUPAC: InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 CH$LINK: CAS 78755-81-4 CH$LINK: INCHIKEY OFBIFZUFASYYRE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023064
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 13.440 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0170-0590000000-bac1805a0c5e4985f16d PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 122 67 67 123 8 8 132 20 20 134 55 55 135 8 8 146 8 8 148 192 192 149 16 16 152 8 8 155 12 12 159 8 8 160 12 12 162 251 251 163 16 16 173 145 145 174 35 35 175 106 106 176 43 43 179 24 24 180 24 24 185 8 8 187 35 35 188 8 8 189 588 588 190 43 43 201 176 176 202 59 59 203 313 313 204 24 24 207 8 8 215 67 67 217 999 999 218 90 90 219 12 12 229 298 298 230 172 172 231 39 39 233 106 106 234 8 8 241 47 47 258 313 313 259 43 43 276 290 290 277 31 31 304 12 12 326 39 39 367 8 8 629 12 12 //