GNPS Library Spectrum CCMSLIB00005723365

100
150
200
250
300
350
400
450
500
550
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 IDCCMSLIB00005723365
Compound NameDihydrobacillaene
PICarlos Molina
Data CollectorDaniel Petras
Pubmed
CAS Number
Original Submitterdaniel
Most Recent Revisordaniel
Library QualityBronze Spectrum
SmilesCC(C)CC(C(=O)NCCCC=CC=CC(=CC=CC=C(C)C(CC(=O)NC(=CC=CC=CC(C)C(=O)O)C)O)C)O
InChIInChI=1S/C34H50N2O6/c1-25(2)23-31(38)33(40)35-22-16-9-7-8-11-17-26(3)18-14-15-19-27(4)30(37)24-32(39)36-29(6)21-13-10-12-20-28(5)34(41)42/h7-8,10-15,17-21,25,28,30-31,37-38H,9,16,22-24H2,1-6H3,(H,35,40)(H,36,39)(H,41,42)/b8-7-,13-10+,15-14-,17-11+,20-12+,26-18+,27-19-,29-21-
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00005723365
Precursor M/Z583.373
Exact Mass583.374
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keynull-null-null-null
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
1CommentDihydrobacillaeneCarlos MolinaM+HDaniel Petras583.373daniel 2020-05-28 11:32:49.0

Spectrum ID Ratings