GNPS Library Spectrum CCMSLIB00000081767

120
130
140
150
160
170
180
190
200
210
220
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 IDCCMSLIB00000081767
Compound Name3-p-Coumaroylquinic acid
PINorberto Lopes
Data CollectorDenise Silva
CAS Number1899-30-5
Original Submitterrsilva
Most Recent Revisorrsilva
Library QualityBronze Spectrum
SmilesO[C@@H]1[C@H](OC(/C=C/C2=CC=C(O)C=C2)=O)C[C@@](O)(C(O)=O)C[C@H]1O
InChIInChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16?/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000081767
Precursor M/Z337.1
Exact Mass338.1
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentqTof
Ion ModeNegative
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-03di-0900000000-390db558397074a90625
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
1Comment3-p-Coumaroylquinic acidNorberto LopesM-HDenise Silva337.1rsilvaN/A2014-05-27 13:29:02.0

Spectrum ID Ratings