GNPS Library Spectrum CCMSLIB00000478583

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000478583
Compound NameMyxochromid S1
PIRolf Mueller
Data CollectorHIPS Germany
Pubmed15797219
CAS NumberN/A
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityGold Spectrum
SmilesC/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)C)C)CCC(=O)N)C
InChIInChI=1S/C38H54N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(46)44(7)33-28(6)52-38(51)29(22-23-31(39)45)42-35(48)27(5)40-34(47)26(4)41-36(49)30(24-25(2)3)43-37(33)50/h8-21,25-30,33H,22-24H2,1-7H3,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,50)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+/t26-,27-,28+,29-,30-,33-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000478583
Precursor M/Z723.408
Exact Mass722.4
Charge1
AdductM+H
Ion SourceDI-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-00di-0029000500-5e599c5f34d899dbf9b5
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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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1CommentMyxochromid S1Rolf MuellerM+HHIPS Germany723.408kimkami2157972192021-03-18 20:09:31.0
2CommentMyxochromid S1Rolf MuellerM+HHIPS Germany723.408mwang87157972192015-05-26 16:50:21.0

Spectrum ID Ratings