GNPS Library Spectrum CCMSLIB00005727921

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005727921
Compound NameMassbank:AC000492 Fumonisin B3
PIMassbank
Data CollectorMassbank
CAS Number136379-59-4
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesCCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@@H]([C@@H](C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
InChI1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22+,23?,24?,25+,26-,27-,32+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:MASSBANK:accession:CCMSLIB00005727921
Precursor M/Z706.4
Exact Mass0.0
Charge1
AdductM+H
Ion SourceESI
InstrumentHybrid FT
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipMASSBANK
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentMassbank:AC000492 Fumonisin B3MassbankM+HMassbank706.4mwang87N/A2020-11-16 20:03:48.0

Spectrum ID Ratings