GNPS Library Spectrum CCMSLIB00000425056

40
50
60
70
80
90
100
110
120
130
140
150
160
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 IDCCMSLIB00000425056
Compound NameHMDB:HMDB00857-1207 Pimelic acid
PIHMDB
Data CollectorHMDB
CAS Number111-16-0
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesOC(=O)CCCCCC(O)=O
InChIInChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:HMDB:accession:CCMSLIB00000425056
Precursor M/Z159.066
Exact Mass160.074
Charge1
AdductM-H
Ion SourceNegative
InstrumentQuattro_QQQ:40eV
Ion ModeNegative
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipHMDB
SPLASH Keysplash10-052e-9200000000-84550d0cfeb05e8d79bd
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
1CommentHMDB:HMDB00857-1207 Pimelic acidHMDBM-HHMDB159.066mwang87N/A2015-02-20 17:07:30.0

Spectrum ID Ratings