MassBank Record: MSBNK-Waters-WA000545
ACCESSION: MSBNK-Waters-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
//