GNPS Library Spectrum CCMSLIB00005721931

346.0
346.5
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348.0
348.5
349.0
349.5
350.0
350.5
351.0
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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005721931
Compound NameNCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]
PIPieter Dorrestein
Data Collectorlfnothias/robinschmid
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCC(C)(C=C)C1=C2OC(C)(C)C=CC2=C(O)C3=C1OC(=O)C=C3
InChIInChI=1S/C19H20O4/c1-6-18(2,3)14-16-11(7-8-13(20)22-16)15(21)12-9-10-19(4,5)23-17(12)14/h6-10,21H,1H2,2-5H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00005721931
Precursor M/Z351.099
Exact Mass312.136
Charge1
Adduct[M+K]+
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00347365-02
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]
Pieter Dorrestein[M+K]+lfnothias/robinschmid351.099mpanitchpakdiN/A2020-04-29 15:19:41.0

Spectrum ID Ratings