(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one

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Molecule

(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one

Chemical Information

8 Related Dataset(s) ⌄

Specitinomycin; LC-ESI-IT; MS2; m/z: 333; [M+H]+

Specitinomycin; LC-ESI-IT; MS3; m/z: 333/140; [M+H]+

Specitinomycin; LC-ESI-IT; MS3; m/z: 333/189; [M+H]+

Specitinomycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Specitinomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Specitinomycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Specitinomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Specitinomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol54828
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB00919	drugbank
CHEBI:9215	chebi
SCM	rcsb_pdb
CHEMBL1167	chembl
3533	surechembl
15541	pubchem
93AKI1U6QF	fdasrs
SCM	pdbe
PD009642	probes_and_drugs
15967	brenda
266336	brenda
266337	brenda
HMDB0015055	hmdb
DTXSID9023592	comptox
NCT02099240	clinicaltrials
Molport-002-513-665	molport
2468	drugcentral
The data in this table is sourced from UniChem at EBI.