GNPS Library Spectrum CCMSLIB00000078011

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078011
Compound NameTemsirolimus (Torisel)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"162635-04-3, 343261-52-9, 1034922-90-1"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
Smiles[C@H]1(C[C@@H](CC[C@@H]1OC(C(CO)(CO)C)=O)C[C@H]([C@@H]2CC([C@@H](/C=C(/[C@H]([C@@H](OC)C([C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@]3(CC[C@H]([C@](C(C(N4[C@](C(O2)=O)(CCCC4)[H])=O)=O)(O3)O)C)[H])OC)C)C)C)=O)O)C)C)=O)C)OC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078011
Precursor M/Z1052.59
Exact Mass1029.6
Charge1
Adduct[M+Na]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-0udi-9000000000-03c36e24f33fbd1d5ad2
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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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1CommentTemsirolimus (Torisel)Dorrestein[M+Na]Garg_Neha1052.59negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings