GNPS Library Spectrum CCMSLIB00006501212

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006501212
Compound Name14-Deoxy-11,12-didehydroandrographolide
PIBMDMS-NP
Data CollectorBMDMS-NP
CAS NumberN/A
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesO=C1OCC=C1C=CC2C(=C)CCC3C(C)(CO)C(O)CCC23C
InChIInChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:BMDMS-NP:accession:CCMSLIB00006501212
Precursor M/Z333.2
Exact Mass332.199
Charge1
Adduct[M+H]+
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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1Comment14-Deoxy-11,12-didehydroandrographolideBMDMS-NP[M+H]+BMDMS-NP333.2mwang87N/A2021-05-21 10:24:01.0

Spectrum ID Ratings