ACCESSION: MSBNK-Waters-WA000411
RECORD_TITLE: Droperidol; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Droperidol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₂FN₃O₂
CH$EXACT_MASS: 379.16961
CH$SMILES: Fc(c4)ccc(c4)C(=O)CCCN(C3)CC=C(C3)N(C(=O)1)c(c2)c(ccc2)N1
CH$IUPAC: InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
CH$LINK: CAS 548-73-2
CH$LINK: INCHIKEY RMEDXOLNCUSCGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022973

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 13.250 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 90 V

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

PK$SPLASH: splash10-00di-0900000000-5571a1907eb49de29a83
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  109 12 12
  113 102 102
  123 999 999
  124 59 59
  136 74 74
  165 98 98
//