GNPS Library Spectrum CCMSLIB00000531489

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000531489
Compound NameBranched T-peptide N-acetyl-ESL(KNFI)DQYG-NH2
PIHavlicek
Data Collector
Pubmed26195308
CAS Number
Original Submitternovakj
Most Recent Revisornovakj
Library QualityBronze Spectrum
SmilesCCC(C)C(N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(N)=O)C(=O)NCCCCC(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(O)=O)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(N)=O
InChI
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000531489
Precursor M/Z677.835
Exact Mass1353.66
Charge2
AdductM+H
Ion SourceLC-ESI
InstrumentHybrid FT
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-00or-0100009000-2443c978f8045d252385
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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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1CommentBranched T-peptide N-acetyl-ESL(KNFI)DQYG-NH2HavlicekM+H 677.835novakj261953082015-09-04 06:54:25.0

Spectrum ID Ratings