GNPS Library Spectrum CCMSLIB00000079358

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079358
Compound NameMLS001141033-01!1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(CC2)C(=O)[C@@H](N)CC(C)C)C(C)C)cc1
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079358
Precursor M/Z461.313
Exact Mass460.305
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0229-0922100000-766a1a901c08a423280c
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
MLS001141033-01
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide
DorresteinM+HVVP/LMS461.313vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings