GNPS Library Spectrum CCMSLIB00000078018

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078018
Compound NameEverolimus (RAD001)
PIDorrestein
Data CollectorGarg_Neha
CAS Number"159351-69-6, 1245613-55-1"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC(O)CO[C@H]1[C@@H](C[C@@H](CC1)C[C@@H]([C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C([C@]4([C@@H](CC[C@H](O4)C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C([C@@H]([C@@H](O)/C(=C/[C@H](C(C2)=O)C)C)OC)=O)C)C)C)OC)C)O)=O)C)OC
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078018
Precursor M/Z980.571
Exact Mass957.581
Charge1
Adduct[M+Na]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-001i-0222210019-87ca30d5e216e8ca5fb5
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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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1CommentEverolimus (RAD001)Dorrestein[M+Na]Garg_Neha980.571negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings