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MassBank Record: WA000548

Flumazenil; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000548
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2008.09.25, modified 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 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0udi-0009001000-fde6a6e435508089541a
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  304 999 999
  305 133 133
  306 12 12
  326 12 12
  342 16 16
  607 94 94
  608 20 20
  629 43 43
  630 8 8
//

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