MassBank Record: WA000543



 Flumazenil; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA000543
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2008.09.25, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 78755-81-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.440 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: splash10-02hj-0930000000-406f81b29c2f93bec45b PK$NUM_PEAK: 87 PK$PEAK: m/z int. rel.int. 101 8 8 107 184 184 108 16 16 109 20 20 110 47 47 113 31 31 119 8 8 120 16 16 121 55 55 122 466 466 123 102 102 124 8 8 126 8 8 128 43 43 129 16 16 132 494 494 133 27 27 134 603 603 135 74 74 136 71 71 138 35 35 142 8 8 146 98 98 147 31 31 148 979 979 149 90 90 150 35 35 152 94 94 153 8 8 154 16 16 155 47 47 158 27 27 159 114 114 160 161 161 161 39 39 162 838 838 163 74 74 164 24 24 169 8 8 171 35 35 172 12 12 173 588 588 174 153 153 175 505 505 176 106 106 177 12 12 179 59 59 180 78 78 185 20 20 187 208 208 188 121 121 189 999 999 190 82 82 191 8 8 200 24 24 201 235 235 202 114 114 203 509 509 204 39 39 205 12 12 207 55 55 212 12 12 213 8 8 214 8 8 215 157 157 217 639 639 218 47 47 219 8 8 221 16 16 228 39 39 229 168 168 230 118 118 231 31 31 233 259 259 234 27 27 241 24 24 242 8 8 247 8 8 258 78 78 259 12 12 276 63 63 304 16 16 326 78 78 327 8 8 342 16 16 367 20 20 629 20 20 //