GNPS Library Spectrum CCMSLIB00000531484

200
250
300
350
400
450
500
550
600
0%
10%
20%
30%
40%
50%
60%
70%
80%
90%
100%
Click and drag in the plot to zoom X:  Y:        Enable tooltip Plot mass error
Latest Library Spectrum Information
Spectrum IDCCMSLIB00000531484
Compound NameRoseotoxin A
PIHavlicek
Data Collector
Pubmed26195308
CAS Number
Original Submitternovakj
Most Recent Revisornovakj
Library QualityBronze Spectrum
SmilesCCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
InChI
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000531484
Precursor M/Z608.402
Exact Mass607.394
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentHybrid FT
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-014i-0000900000-e3f2aa9a8d2ef74d62bd
Update Annotation
Add Spectrum Tag

Spectrum Tags

Datasets ID
Hits 1 ~ 0 out of 0     Go to   
TypeDescriptionDatabaseURLURLRemove Tag
checked only

Spectrum Annotation History

Spectrum Annotations and Comments
Hits 1 ~ 1 out of 1     Go to   
CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentRoseotoxin AHavlicekM+H 608.402novakj261953082015-09-04 05:55:16.0

Spectrum ID Ratings