GNPS Library Spectrum CCMSLIB00000001549

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000001549
Compound NameMalyngamide C
PIGerwick
Data CollectorAmanda
CAS NumberN/A
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityGold Spectrum
SmilesCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)/[C@@]12[C@@H](O1)[C@H](CCC2=O)O)OC
InChIInChI=1S/C24H38ClNO5/c1-3-4-5-6-8-11-19(30-2)12-9-7-10-13-22(29)26-17-18(16-25)24-21(28)15-14-20(27)23(24)31-24/h7,9,16,19-20,23,27H,3-6,8,10-15,17H2,1-2H3,(H,26,29)/b9-7+,18-16-/t19-,20-,23-,24+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001549
Precursor M/Z456.1
Exact Mass455.244
Charge0
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-00di-0000900000-c842d2b0ef30e9400b3a
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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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1CommentMalyngamide CGerwickM+HAmanda456.1kimkami2N/A2021-03-18 16:28:20.0
2CommentMalyngamide CGerwickM+HAmanda456.1kimkami2N/A2021-03-18 16:10:52.0
3CommentMalyngamide CGerwickM+HAmanda456.1kimkami2N/A2021-03-18 16:10:45.0
4CommentMalyngamide CGerwickM+HAmanda456.1mwang87N/A2014-02-04 17:56:43.0

Spectrum ID Ratings