ACCESSION: MSBNK-Washington_State_Univ-BML81253
RECORD_TITLE: Foliosidine; LC-APCI-QTOF; MS; NEGATIVE
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 0.994

CH$NAME: Foliosidine
CH$NAME: 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylhydroquinolin-2-one
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₁NO₅
CH$EXACT_MASS: 307.141973
CH$SMILES: CC(C)(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)O
CH$IUPAC: InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3
CH$LINK: CHEMSPIDER 2114844
CH$LINK: PUBCHEM CID:2837663
CH$LINK: INCHIKEY IUPYLWAXGAJZQC-UHFFFAOYSA-N

AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-APCI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
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 7.302
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

PK$SPLASH: splash10-0006-0009000000-d6016cdc27272d72215d
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
342.111402 32059 999
//