MassBank Record: WA000643



 Sufentanil; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000643
RECORD_TITLE: Sufentanil; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Sufentanil CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H30N2O2S CH$EXACT_MASS: 386.20280 CH$SMILES: COCC(C2)(CCN(CCc(c3)scc3)C2)N(C(=O)CC)c(c1)cccc1 CH$IUPAC: InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3 CH$LINK: CAS 56030-54-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.580 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0019000000-86f0b3128ad55e570741 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 238 188 188 239 20 20 240 8 8 289 8 8 355 47 47 356 8 8 387 999 999 388 223 223 389 71 71 390 12 12 //