MassBank Record: WA000546

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Flumazenil; LC-ESI-Q; MS; POS; 45 V
Mass Spectrum
Chemical Structure
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ACCESSION: WA000546
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0093000000-85fd50348fc3cb382e17 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 217 59 59 229 35 35 230 12 12 258 592 592 259 63 63 276 999 999 277 114 114 278 8 8 304 454 454 305 67 67 326 106 106 327 16 16 342 8 8 367 27 27 629 8 8 //