GNPS Library Spectrum CCMSLIB00000078893

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078893
Compound NameQuercitrin
PINorberto Lopes
Data CollectorDenise Silva
Pubmed
CAS Number522-12-3
Original Submitterrsilva
Most Recent Revisorrsilva
Library QualityBronze Spectrum
SmilesO=C1C2=C(O)C=C(O)C=C2OC(C3=CC(O)=C(O)C=C3)=C1O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4
InChIInChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000078893
Precursor M/Z447.12
Exact Mass448.101
Charge-1
AdductM-H
Ion SourceDI-ESI
InstrumentqTof
Ion ModeNegative
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-0udi-0149000000-45b606d3c459e3e5167a
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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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1CommentQuercitrinNorberto LopesM-HDenise Silva447.12rsilva 2014-05-05 10:29:38.0

Spectrum ID Ratings