Dataset

secondary ion mass spectrometry imaging (SIMS imaging)

Chemical Info

InChI	InChI=1S/C27H46N9O9/c1-26(2)13-15(27(3,4)36(26)45)21(40)31-10-6-5-8-16(28)22(41)35-17(9-7-11-32-25(29)30)23(42)33-14-19(37)34-18(24(43)44)12-20(38)39/h13,16-18H,5-12,14,28H2,1-4H3,(H,31,40)(H,33,42)(H,34,37)(H,35,41)(H,38,39)(H,43,44)(H4,29,30,32)/t16-,17-,18-/m0/s1
SMILES	NC(=N)NCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)O)NC(=O)[C@H](CCCCNC(=O)C1=CC(N(C1(C)C)[O])(C)C)N
InChI Key	GXXOJJSMTDQHQF-BZSNNMDCSA-N
Molecular Formula	C27H46N9O9
Exact Mass	640.709 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GXXOJJSMTDQHQF-BZSNNMDCSA-N/CHMO0000055
License URL
Source	https://www.chemotion-repository.net/inchikey/GXXOJJSMTDQHQF-BZSNNMDCSA-N/CHMO0000055
Version
Author	Julian Brückel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:52:25.449248
MetadataModified	2024-09-08T00:52:25.449255
MetadataPublished	2023-04-10

Field	Value
Measurement Technique	secondary ion mass spectrometry imaging
Measurement Variables

Data-Source Molecule ID	Data-Source
168008335	PubChem
The data in this table is sourced from UniChem at EBI.