MassBank Record: MSJ00035



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

ACCESSION: MSJ00035
RECORD_TITLE: Perylene; LC-ESI-Q; MS; Positive
DATE: 2017.07.13 (2016.06.20)
AUTHORS: , Hiroshi Moriwaki, Shinshu University
LICENSE: CC BY
COPYRIGHT: Hiroshi Moriwaki, Shinshu University
PUBLICATION: Abstract 1C-O1-1605 of the 64th Annual Conference on Mass Spectrometry, Japan (May 18, 2016)
COMMENT: Concentration of perylene solution 1 mg/ L; Injection volume 10 microL;. Post column addition of NaAuCl4 acetonitrile solution (5 mg /L) at 0.05 mL/min.

CH$NAME: Perylene CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C20H12 CH$EXACT_MASS: 252.09390 CH$SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 CH$IUPAC: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H CH$LINK: INCHIKEY CSHWQDPOILHKBI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:9142 CH$LINK: COMPTOX DTXSID4047753
AC$INSTRUMENT: LC-MS2010A, Shimadzu AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME TSK-gel ODS-120Z (C18 5.0 microm, 2.0 x 150 mm) AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0-5 min, 10/90 at 10-20 min. AC$CHROMATOGRAPHY: FLOW_RATE 200 microL/min. AC$CHROMATOGRAPHY: RETENTION_TIME 14.6 min AC$CHROMATOGRAPHY: SOLVENT SOLVENT A is water. SOLVENT B is acetonitrile.
PK$SPLASH: splash10-0udi-0790000000-0f7e9b0f1d46494100c8 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 104.95 46575 420 105.9 15977 144 145.95 27688 250 252 110777 999 //

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