GNPS Library Spectrum CCMSLIB00010007714

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00010007714
Compound Nameevodiamine
PISang Hee SHIM Kyo Bin Kang
Data CollectorEunah JEONG Seungju SON
CAS Number518-17-2
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
InChI"1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SAM-SIK-KANG-LEGACY-LIBRARY:accession:CCMSLIB00010007714
Precursor M/Z304.143
Exact Mass303.137
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SAM-SIK-KANG-LEGACY-LIBRARY
SPLASH Keynull-null-null-null
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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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1CommentevodiamineSang Hee SHIM Kyo Bin KangM+HEunah JEONG Seungju SON304.143mpanitchpakdiN/A2022-05-13 11:03:45.0

Spectrum ID Ratings