GNPS Library Spectrum CCMSLIB00003134671

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003134671
Compound NameSpectral Match to Desferrioxamine from NIST14
PIData from Lixin Zhang
Data CollectorData deposited by liuxueting_cn
CAS Number70519
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
InChIInChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIST14-MATCHES:accession:CCMSLIB00003134671
Precursor M/Z281.18
Exact Mass560.353
Charge1
AdductM+2H
Ion SourceESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIST14-MATCHES
SPLASH Keynull-null-null-null
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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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1CommentSpectral Match to Desferrioxamine from NIST14Data from Lixin ZhangM+2HData deposited by liuxueting_cn281.18kimkami2N/A2021-03-20 18:38:27.0
2CommentSpectral Match to Desferrioxamine from NIST14Data from Lixin ZhangM+2H]Data deposited by liuxueting_cn281.18mwang87N/A2017-07-18 12:59:10.0

Spectrum ID Ratings