Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3
SMILES	CC(COC(=O)c1c(N)c(C(=O)OCC(C)C)c(c(c1N)C(=O)OCC(C)C)N)C
InChI Key	MZVWXNMVEPSDOD-UHFFFAOYSA-N
Molecular Formula	C21H33N3O6
Exact Mass	423.503 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MZVWXNMVEPSDOD-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/MZVWXNMVEPSDOD-UHFFFAOYSA-N/CHMO0000498
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:47:01.836055
MetadataModified	2024-09-07T22:20:39.672348
MetadataPublished	2022-06-23

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163407592	PubChem
The data in this table is sourced from UniChem at EBI.