ACCESSION: MSBNK-Washington_State_Univ-BML81542
RECORD_TITLE: Kojic acid; LC-APCI-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 0.107

CH$NAME: Kojic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₄
CH$EXACT_MASS: 142.026609
CH$SMILES: C1=C(OC=C(C1=O)O)CO
CH$IUPAC: InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
CH$LINK: CAS 501-30-4
CH$LINK: CHEMSPIDER 3708
CH$LINK: PUBCHEM CID:3840
CH$LINK: INCHIKEY BEJNERDRQOWKJM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2040236

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 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 0.790
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

PK$SPLASH: splash10-0006-0900000000-81f4b9e6bf41ef2d8d1a
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
143.0338765 120841 999
//