MassBank Record: MSBNK-Waters-WA000415
ACCESSION: MSBNK-Waters-WA000415
RECORD_TITLE: Droperidol; LC-ESI-Q; MS; POS; 30 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0409000000-a22de0dc07a198dee981
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
133 24 24
151 27 27
165 51 51
194 447 447
195 39 39
207 35 35
246 39 39
264 71 71
378 63 63
380 999 999
381 219 219
382 20 20
398 16 16
402 16 16
//