Spectrum MSJ00035 for Perylene

Rating: (*)(*)(*)(*)(*)

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Non-Natural Product
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
CSHWQDPOILHKBI-UHFFFAOYSA-N
C20H12
252.093900384
C1=CC=2C=CC=C3C4=CC=CC5=CC=CC(C(=C1)C23)=C54

Mass Spectral Metadata

NameValue
MSJ00035
2017.07.13 (Created 2016.06.20)
Hiroshi Moriwaki, Shinshu University
CC BY
Hiroshi Moriwaki, Shinshu University
Abstract 1C-O1-1605 of the 64th Annual Conference on Mass Spectrometry, Japan (May 18, 2016)
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.
252.0939
LC-MS2010A, Shimadzu
LC-ESI-Q
MS1
TSK-gel ODS-120Z (C18 5.0 microm, 2.0 x 150 mm)
90/10 at 0-5 min, 10/90 at 10-20 min.
200 microL/min.
14.6 min
water
acetonitrile
positive
1.1415081830198934
0.8234240973884858