ACCESSION: MSBNK-Washington_State_Univ-BML80950
RECORD_TITLE: Cinchonamine; LC-ESI-QTOF; MS; POSITIVE
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 0.682

CH$NAME: Cinchonamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄N₂O
CH$EXACT_MASS: 296.188863
CH$SMILES: C=CC1CN2CCC1CC2C3=C(C4=CC=CC=C4N3)CCO
CH$IUPAC: InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2
CH$LINK: CAS 482-28-0
CH$LINK: CHEMSPIDER 454663
CH$LINK: PUBCHEM CID:521233
CH$LINK: INCHIKEY YAUKSCGKZYUZRH-UHFFFAOYSA-N

AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 5.018
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

PK$SPLASH: splash10-0002-0091000000-728e8105bcaaeb6bd079
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
297.1961765 443299 999
319.178118 49967 113
//