Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C30H27N3O6/c31-25-22(28(34)37-16-19-10-4-1-5-11-19)26(32)24(30(36)39-18-21-14-8-3-9-15-21)27(33)23(25)29(35)38-17-20-12-6-2-7-13-20/h1-15H,16-18,31-33H2
SMILES	O=C(c1c(N)c(C(=O)OCc2ccccc2)c(c(c1N)C(=O)OCc1ccccc1)N)OCc1ccccc1
InChI Key	MKKNIUYAPHYFAO-UHFFFAOYSA-N
Molecular Formula	C30H27N3O6
Exact Mass	525.552 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MKKNIUYAPHYFAO-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/MKKNIUYAPHYFAO-UHFFFAOYSA-N/CHMO0000563
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:51:40.988676
MetadataModified	2024-09-07T22:24:17.553799
MetadataPublished	2022-06-23

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163407587	PubChem
The data in this table is sourced from UniChem at EBI.