GNPS Library Spectrum CCMSLIB00000208760

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000208760
Compound NameReSpect:PM000501 Apigenin 7-O-neohesperidoside
PIPutative ReSpect Match
Data CollectorReSpect
Pubmed11747116
CAS Number17306-46-6
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(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChIInChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:RESPECT:accession:CCMSLIB00000208760
Precursor M/Z579.0
Exact Mass578.164
Charge1
AdductM+H
Ion SourceESI
InstrumentIon Trap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipRESPECT
SPLASH Keysplash10-00di-0090400000-e0e5af54a1653c76ec36
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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:PM000501 Apigenin 7-O-neohesperidosidePutative ReSpect MatchM+HReSpect579.0kimkami2117471162021-03-20 15:29:46.0
2CommentReSpect:PM000501 Apigenin 7-O-neohesperidosidePutative ReSpect Match[M+H]ReSpect579.0mwang87117471162014-08-01 16:37:39.0

Spectrum ID Ratings