GNPS Library Spectrum CCMSLIB00000079373

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079373
Compound Name"MLS001158620-01!(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc12)C(=O)N3CCC[C@@H]3C(=O)O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079373
Precursor M/Z389.182
Exact Mass388.175
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0002-0910000000-4986e7a45e558ce37cb6
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS001158620-01
(2R)-1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid"
DorresteinM+HVVP/LMS389.182vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings