GNPS Library Spectrum CCMSLIB00000531482

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000531482
Compound NameSubstance P
PIHavlicek
Data Collector
Pubmed26195308
CAS Number
Original Submitternovakj
Most Recent Revisornovakj
Library QualityBronze Spectrum
SmilesCC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
InChI
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000531482
Precursor M/Z674.371
Exact Mass1346.73
Charge2
AdductM+H
Ion SourceLC-ESI
InstrumentHybrid FT
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-0zg0-3101159222-0abea76f7dca1b02dd7c
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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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1CommentSubstance PHavlicekM+H 674.371novakj261953082015-09-04 05:33:17.0

Spectrum ID Ratings