MassBank Record: WA000416



 Droperidol; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000416
RECORD_TITLE: Droperidol; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 548-73-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.250 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0019000000-c3ad036be768baf3f79c PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 207 110 110 224 31 31 264 39 39 378 47 47 380 999 999 381 212 212 382 20 20 398 24 24 //