GNPS Library Spectrum CCMSLIB00005719073

100
200
300
400
500
600
700
800
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 IDCCMSLIB00005719073
Compound NameRugulosin
PIDavid RONDEAU Thomas DELHAYE
Data CollectorDamien OLIVIER
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCc1cc(c2c(c1)C(=O)C13C4C5C(C1C(=O)C1=C(c6c(cc(cc6C(=O)C51C(C4O)C(=O)C3=C2O)C)O)O)O)O
InChI"InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:LDB_POSITIVE:accession:CCMSLIB00005719073
Precursor M/Z541.114
Exact Mass542.121
Charge1
Adduct[M-H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModeNegative
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipLDB_POSITIVE
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
1CommentRugulosinDavid RONDEAU Thomas DELHAYE[M-H]Damien OLIVIER541.114mpanitchpakdiN/A2020-03-23 10:55:54.0

Spectrum ID Ratings