ACCESSION: MSBNK-MSSJ-MSJ00035
RECORD_TITLE: Perylene; LC-ESI-Q; MS; Positive
DATE: 2017.07.13 (Created 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
//