GNPS Library Spectrum CCMSLIB00000854609

200
400
600
800
1000
1200
1400
1600
1800
2000
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 IDCCMSLIB00000854609
Compound NameNCGC00381049-01_C10H11NO4_
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesOC(=O)C\1CC2OC(=C)C(=O)NC2\C=C1
InChIInChI=1S/C10H11NO4/c1-5-9(12)11-7-3-2-6(10(13)14)4-8(7)15-5/h2-3,6-8H,1,4H2,(H,11,12)(H,13,14)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000854609
Precursor M/Z232.058
Exact Mass209.069
Charge1
AdductM+Na
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_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
1CommentNCGC00381049-01_C10H11NO4_Jadhav/DorresteinM+Nalfnothias232.058mwang87n/a2017-02-19 14:59:22.0

Spectrum ID Ratings