GNPS Library Spectrum CCMSLIB00005489312

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005489312
Compound Nameval-leu-pro-val-pro [IIN-based: Match]
PIPieter Dorrestein
Data CollectorRobin Schmid
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesN1(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(=O)N[C@H](C(=O)O)CCC(=O)N)CCC1
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IIMN-PROPOGATED:accession:CCMSLIB00005489312
Precursor M/Z652.404
Exact Mass651.395
Charge1
Adduct[M+H]+
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-IIMN-PROPOGATED
SPLASH Keynull-null-null-null
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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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1Commentval-leu-pro-val-pro [IIN-based: Match]Pieter Dorrestein[M+H]+Robin Schmid652.404mpanitchpakdiN/A2019-12-20 15:04:50.0

Spectrum ID Ratings