GNPS Library Spectrum CCMSLIB00006675761

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006675761
Compound Name25DiHydroxyBenzoicAcid
PIUlaszewska
Data CollectorMarynka Ulaszewska
Pubmed3469.0
CAS Number490-79-9
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC(=C(C=C1O)C(=O)O)O
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NUTRI-METAB-FEM-NEG:accession:CCMSLIB00006675761
Precursor M/Z329.028
Exact Mass154.027
Charge-1
Adduct2M-2H+Na
Ion SourceESI
InstrumentOrbitrap
Ion ModeNegative
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-NUTRI-METAB-FEM-NEG
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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1Comment25DiHydroxyBenzoicAcidUlaszewska2M-2H+NaMarynka Ulaszewska329.028mpanitchpakdi3469.02021-07-09 09:18:59.0

Spectrum ID Ratings