GNPS Library Spectrum CCMSLIB00006569766

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006569766
Compound Nameandrograpanin
PIBMDMS-NP
Data CollectorBMDMS-NP
CAS NumberN/A
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesO=C1OCC=C1CCC2C(=C)CCC3C(C)(CO)CCCC23C
InChIInChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:BMDMS-NP:accession:CCMSLIB00006569766
Precursor M/Z341.21
Exact Mass318.219
Charge1
Adduct[M+Na]+
Ion SourceESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipBMDMS-NP
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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1CommentandrograpaninBMDMS-NP[M+Na]+BMDMS-NP341.21mwang87N/A2021-05-21 10:24:01.0

Spectrum ID Ratings