GNPS Library Spectrum CCMSLIB00000845088

200
225
250
275
300
325
350
375
400
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 IDCCMSLIB00000845088
Compound NameNCGC00384676-01!
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCCC1OC2(CC(O)=O)CC3=CC4=C(C(O)C(O)C(O)C4=O)C(O)=C3C(O2)C1C
InChIInChI=1S/C20H24O9/c1-3-10-7(2)19-12-8(5-20(28-10,29-19)6-11(21)22)4-9-13(15(12)24)16(25)18(27)17(26)14(9)23/h4,7,10,16-19,24-27H,3,5-6H2,1-2H3,(H,21,22)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE:accession:CCMSLIB00000845088
Precursor M/Z407.135
Exact Mass408.142
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modenegative
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_NEGATIVE
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
1Comment
NCGC00384676-01
Jadhav/DorresteinM-Hlfnothias407.135mwang87n/a2017-01-30 15:18:11.0

Spectrum ID Ratings