GNPS Library Spectrum CCMSLIB00000079361

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079361
Compound NameMLS001142759-01!(2S)-2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]butanedioic acid
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityBronze Spectrum
SmilesCC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079361
Precursor M/Z498.191
Exact Mass497.183
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0bt9-0941100100-6a44fa5a73a13fdfc745
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
MLS001142759-01
(2S)-2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]butanedioic acid
DorresteinM+HVVP/LMS498.191vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings