GNPS Library Spectrum CCMSLIB00000078008

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078008
Compound NameRapamycin (Sirolimus)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"53123-88-9, 1179372-35-0, 1189166-54-8, 1233221-34-5, 1353039-01-6"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
Smiles[C@@H]1([C@@H](C[C@@H](CC1)C[C@H]([C@@H]2CC([C@@H](/C=C(\C)[C@H]([C@@H](C([C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]3CC[C@H]([C@](C(C(N4CCCC[C@@H](C(O2)=O)4)=O)=O)(O3)O)C)OC)C)C)C)=O)OC)O)C)=O)C)OC)O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078008
Precursor M/Z936.544
Exact Mass913.555
Charge1
Adduct[M+Na]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-000i-0000100009-7ce17d6cf69ce2bffc43
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentRapamycin (Sirolimus)Dorrestein[M+Na]Garg_Neha936.544negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings