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MassBank Record: WA000545

Flumazenil; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA000545
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-056r-0090000000-9e6688eb40a3fc165e88
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  148 12 12
  162 24 24
  173 12 12
  175 8 8
  189 125 125
  190 8 8
  201 51 51
  202 8 8
  203 86 86
  215 12 12
  217 713 713
  218 63 63
  229 278 278
  230 129 129
  231 24 24
  233 20 20
  241 43 43
  258 854 854
  259 94 94
  260 8 8
  276 999 999
  277 110 110
  278 12 12
  304 71 71
  305 8 8
  326 102 102
  327 12 12
  367 24 24
  629 8 8
//

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