Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C21H33N3O6/c1-19(2,3)28-16(25)10-13(22)11(17(26)29-20(4,5)6)15(24)12(14(10)23)18(27)30-21(7,8)9/h22-24H2,1-9H3
SMILES	O=C(c1c(N)c(C(=O)OC(C)(C)C)c(c(c1N)C(=O)OC(C)(C)C)N)OC(C)(C)C
InChI Key	JYBSZBKAERXMLG-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/JYBSZBKAERXMLG-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/JYBSZBKAERXMLG-UHFFFAOYSA-N/CHMO0000563
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:49:16.225487
MetadataModified	2024-09-07T22:22:24.590572
MetadataPublished	2022-06-23

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

Data-Source Molecule ID	Data-Source
163407578	PubChem
The data in this table is sourced from UniChem at EBI.