Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C28H29N3O4/c1-16-25(29-26(32)17-10-12-18(13-11-17)31(2)3)24-22(14-19(34-4)15-23(24)35-5)28(16)21-9-7-6-8-20(21)27(33)30-28/h6-16,25H,1-5H3,(H,29,32)(H,30,33)/t16-,25-,28+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)N(C)C)C
InChI Key	ABSKKDIQFQWBSP-MELYQEHWSA-N
Molecular Formula	C28H29N3O4
Exact Mass	471.548 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ABSKKDIQFQWBSP-MELYQEHWSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/ABSKKDIQFQWBSP-MELYQEHWSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:07:46.953251
MetadataModified	2024-09-08T02:07:46.953256
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169452720	PubChem
The data in this table is sourced from UniChem at EBI.