ACCESSION: MSBNK-Waters-WA000544
RECORD_TITLE: Flumazenil; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0170-0590000000-bac1805a0c5e4985f16d
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  122 67 67
  123 8 8
  132 20 20
  134 55 55
  135 8 8
  146 8 8
  148 192 192
  149 16 16
  152 8 8
  155 12 12
  159 8 8
  160 12 12
  162 251 251
  163 16 16
  173 145 145
  174 35 35
  175 106 106
  176 43 43
  179 24 24
  180 24 24
  185 8 8
  187 35 35
  188 8 8
  189 588 588
  190 43 43
  201 176 176
  202 59 59
  203 313 313
  204 24 24
  207 8 8
  215 67 67
  217 999 999
  218 90 90
  219 12 12
  229 298 298
  230 172 172
  231 39 39
  233 106 106
  234 8 8
  241 47 47
  258 313 313
  259 43 43
  276 290 290
  277 31 31
  304 12 12
  326 39 39
  367 8 8
  629 12 12
//