GNPS Library Spectrum CCMSLIB00006434512

532.516
532.517
532.518
532.519
532.520
532.521
532.522
532.523
532.524
532.525
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 IDCCMSLIB00006434512
Compound NamePoricoic acid A
PIBMDMS-NP
Data CollectorBMDMS-NP
CAS NumberN/A
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesO=C(O)CCC1(C2=CCC3(C)C(C(O)CC3(C2=CCC1C(=C)C)C)C(C(=O)O)CCC(=C)C(C)C)C
InChIInChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:BMDMS-NP:accession:CCMSLIB00006434512
Precursor M/Z521.32
Exact Mass498.335
Charge1
Adduct[M+Na]+
Ion SourceESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipBMDMS-NP
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
1CommentPoricoic acid ABMDMS-NP[M+Na]+BMDMS-NP521.32mwang87N/A2021-05-21 10:24:01.0

Spectrum ID Ratings