GNPS Library Spectrum CCMSLIB00000208766

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000208766
Compound NameReSpect:PM000504 Kaempferol 3-O-rutinoside
PIPutative ReSpect Match
Data CollectorReSpect
Pubmed11747116
CAS Number17650-84-9
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
InChIInChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:RESPECT:accession:CCMSLIB00000208766
Precursor M/Z595.0
Exact Mass594.159
Charge1
AdductM+H
Ion SourceESI
InstrumentIon Trap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipRESPECT
SPLASH Keysplash10-000j-0080900000-66f9732070c3661ac69b
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentReSpect:PM000504 Kaempferol 3-O-rutinosidePutative ReSpect MatchM+HReSpect595.0kimkami2117471162021-03-20 15:30:01.0
2CommentReSpect:PM000504 Kaempferol 3-O-rutinosidePutative ReSpect Match[M+H]ReSpect595.0mwang87117471162014-08-01 16:37:39.0

Spectrum ID Ratings