MassBank Record: WA000547

Home Search Record Index Data Privacy Imprint


Flumazenil; LC-ESI-Q; MS; POS; 30 V
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: WA000547
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0029000000-cae448d98585184b8533 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 258 82 82 259 8 8 276 172 172 277 24 24 304 999 999 305 137 137 306 16 16 326 47 47 342 20 20 367 12 12 629 20 20 //