GNPS Library Spectrum CCMSLIB00000208764

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000208764
Compound NameReSpect:PM000503 Kaempferol-7-O-neohesperidoside
PIPutative ReSpect Match
Data CollectorReSpect
Pubmed11747116
CAS Number17353-03-6
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChIInChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:RESPECT:accession:CCMSLIB00000208764
Precursor M/Z595.0
Exact Mass594.159
Charge1
AdductM+H
Ion SourceESI
InstrumentIon Trap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipRESPECT
SPLASH Keysplash10-000j-0090600000-609656c626ccd5f854d7
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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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1CommentReSpect:PM000503 Kaempferol-7-O-neohesperidosidePutative ReSpect MatchM+HReSpect595.0kimkami2117471162021-03-20 15:29:56.0
2CommentReSpect:PM000503 Kaempferol-7-O-neohesperidosidePutative ReSpect Match[M+H]ReSpect595.0mwang87117471162014-08-01 16:37:39.0

Spectrum ID Ratings