Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C60H38N8O2/c1-35-61-63-59(69-35)53-55(65-45-27-11-3-19-37(45)38-20-4-12-28-46(38)65)54(60-64-62-36(2)70-60)57(67-49-31-15-7-23-41(49)42-24-8-16-32-50(42)67)58(68-51-33-17-9-25-43(51)44-26-10-18-34-52(44)68)56(53)66-47-29-13-5-21-39(47)40-22-6-14-30-48(40)66/h3-34H,1-2H3
SMILES	Cc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)c1nnc(o1)C)n1c2ccccc2c2c1cccc2
InChI Key	JHLABSLOXSXFQZ-UHFFFAOYSA-N
Molecular Formula	C60H38N8O2
Exact Mass	902.996 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JHLABSLOXSXFQZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JHLABSLOXSXFQZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:02:30.825551
MetadataModified	2024-09-07T16:28:22.968353
MetadataPublished	2020-02-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453630	PubChem
The data in this table is sourced from UniChem at EBI.