GNPS Library Spectrum CCMSLIB00000078984

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078984
Compound NameTACROLIMUS
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesCO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(\C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@@H]([C@H](C[C@H]4C)OC)[C@H](C[C@@H](C)CC(=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)C)OC
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078984
Precursor M/Z826.471
Exact Mass803.482
Charge1
Adduct[M+Na]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION1
SPLASH Keysplash10-004i-0000213090-b655172a6c2def8d3216
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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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1CommentTACROLIMUSDorrestein[M+Na]Garg_Neha826.471negargN/A2014-05-06 20:38:41.0

Spectrum ID Ratings