Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C22H25N3O6S/c1-3-30-21(26)9-6-12-24-18-8-5-4-7-17(18)23-22(24)32-14-13-31-20-11-10-16(29-2)15-19(20)25(27)28/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3
SMILES	CCOC(=O)CCCn1c(SCCOc2ccc(cc2[N+](=O)[O-])OC)nc2c1cccc2
InChI Key	LEUNXOLDIBSXMK-UHFFFAOYSA-N
Molecular Formula	C22H25N3O6S
Exact Mass	459.515 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LEUNXOLDIBSXMK-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/LEUNXOLDIBSXMK-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:18:14.047151
MetadataModified	2024-09-07T14:11:37.902353
MetadataPublished	2015-10-31

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
92042811	PubChem
The data in this table is sourced from UniChem at EBI.