GNPS Library Spectrum CCMSLIB00000079354

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079354
Compound Name"MLS001158449-01!(2S)-2-[[(2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]-3-phenylpropanoic acid"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCC(C)[C@H](NC(=O)N1[C@@H](C(C)C)C(=O)Nc2ccccc12)C(=O)N[C@@H](Cc3ccccc3)C(=O)O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079354
Precursor M/Z481.245
Exact Mass480.237
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-029j-0940000000-a8309d4f3a7a56db59aa
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS001158449-01
(2S)-2-[[(2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]-3-phenylpropanoic acid"
DorresteinM+HVVP/LMS481.245vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings