Dataset

secondary ion mass spectrometry imaging (SIMS imaging)

Chemical Info

InChI	InChI=1B/C48H71N10O12Zz/c1-29(31-16-18-33(19-17-31)41(62)52-6)24-38(32-14-12-30(13-15-32)28-68-22-23-69-71)70-58-47(2,3)26-34(48(58,4)5)42(63)53-20-8-7-10-35(49)43(64)57-36(11-9-21-54-46(50)51)44(65)55-27-39(59)56-37(45(66)67)25-40(60)61/h12-19,26,29,35-38H,7-11,20-25,27-28,49H2,1-6H3,(H,52,62)(H,53,63)(H,55,65)(H,56,59)(H,57,64)(H,60,61)(H,66,67)(H4,50,51,54)/z101-22-23,69(71-69,68-22);101-12-15,22-24,28,30,32,38,68-71(58-70,29-24)/t29?,35-,36-,37-,38?/m0/s1
SMILES	*OCCOCc1ccc(cc1)C(CC(c1ccc(cc1)C(=O)NC)C)ON1C(C)(C)C=C(C1(C)C)C(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)O)CCCNC(=N)N)N
InChI Key	YISPZRNMIJKRQD-RULARGBGBA-N
Molecular Formula	C48H71*N10O12
Exact Mass	965.103 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YISPZRNMIJKRQD-RULARGBGBA-N/CHMO0000055
License URL
Source	https://www.chemotion-repository.net/inchikey/YISPZRNMIJKRQD-RULARGBGBA-N/CHMO0000055
Version
Author	Ilona Wagner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:52:32.766850
MetadataModified	2024-09-08T00:52:32.766855
MetadataPublished	2023-04-10

Field	Value
Measurement Technique	secondary ion mass spectrometry imaging
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.