GNPS Library Spectrum CCMSLIB00006718013

50
75
100
125
150
175
200
225
250
275
300
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 IDCCMSLIB00006718013
Compound Namerel-(2R,3R,4E)-2-(3,4-Dihydroxyphenyl)-4-[(3,4-dihydroxyphenyl)methylene]tetrahydro-5-oxo-3-furancarboxylic acid = Phellinsin A
PIWolfender
Data CollectorR. Huber
Pubmed
CAS Number
Original Submitterhuberr
Most Recent Revisorhuberr
Library QualityBronze Spectrum
SmilesO=C1O[C@@H](C2=CC=C(C(O)=C2)O)[C@H](C(O)=O)/C1=C\C3=CC=C(C(O)=C3)O
InChI
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00006718013
Precursor M/Z313.072
Exact Mass0.0
Charge-1
AdductM-CO+H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModeNegative
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
1Commentrel-(2R,3R,4E)-2-(3,4-Dihydroxyphenyl)-4-[(3,4-dihydroxyphenyl)methylene]tetrahydro-5-oxo-3-furancarboxylic acid = Phellinsin A WolfenderM-CO+HR. Huber313.072huberr 2021-10-28 08:22:07.0

Spectrum ID Ratings