Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C27H30N4O/c1-3-4-5-6-7-12-19-32-27-26(30-24-15-10-11-16-25(24)31-27)18-17-21-20(2)28-22-13-8-9-14-23(22)29-21/h8-11,13-18H,3-7,12,19H2,1-2H3/b18-17+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C
InChI Key	PLNPGXWUFFPEGZ-ISLYRVAYSA-N
Molecular Formula	C27H30N4O
Exact Mass	426.553 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/PLNPGXWUFFPEGZ-ISLYRVAYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PLNPGXWUFFPEGZ-ISLYRVAYSA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:33:43.725006
MetadataModified	2024-09-07T22:10:02.544540
MetadataPublished	2022-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163197204	PubChem
The data in this table is sourced from UniChem at EBI.