MassBank Record: WA001018



 Fentanyl; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001018
RECORD_TITLE: Fentanyl; LC-ESI-Q; MS; POS; 45 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$NAME: Fentanyl CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H28N2O CH$EXACT_MASS: 336.22016 CH$SMILES: CCC(=O)N(c(c3)cccc3)C(C1)CCN(CCc(c2)cccc2)C1 CH$IUPAC: InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 CH$LINK: CAS 437-38-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.950 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0907000000-17800f363b08ed95ac7f PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 105 78 78 132 12 12 134 35 35 146 12 12 188 999 999 189 118 118 190 16 16 216 59 59 217 8 8 281 16 16 337 834 834 338 176 176 339 16 16 359 8 8 //