ACCESSION: MSBNK-Waters-WA000546
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 45 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 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
//