GNPS Library Spectrum CCMSLIB00000208768

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000208768
Compound NameReSpect:PM000505 Rutin
PIPutative ReSpect Match
Data CollectorReSpect
Pubmed11747116
CAS Number153-18-4
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)O
InChIInChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,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:CCMSLIB00000208768
Precursor M/Z611.0
Exact Mass610.153
Charge1
AdductM+H
Ion SourceESI
InstrumentIon Trap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipRESPECT
SPLASH Keysplash10-0uxr-0009700000-ca7052d202ac7fe15d83
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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:PM000505 RutinPutative ReSpect MatchM+HReSpect611.0kimkami2117471162021-03-20 15:30:06.0
2CommentReSpect:PM000505 RutinPutative ReSpect Match[M+H]ReSpect611.0mwang87117471162014-08-01 16:37:39.0

Spectrum ID Ratings