GNPS Library Spectrum CCMSLIB00005724080

100
200
300
400
500
600
700
800
900
1000
1100
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 IDCCMSLIB00005724080
Compound NamePC(18:0_20:3) - (2-{[2-[icosa-5.8.11-trienoyloxy]-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
PIN Auzeil
Data CollectorUMR CNRS 8038 Universite de Paris
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisorviceleonore
Library QualityBronze Spectrum
SmilesCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724080
Precursor M/Z812.616
Exact Mass811.609
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-IOBA-NHC
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 ~ 2 out of 2     Go to   
CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentPC(18:0_20:3) - (2-{[2-[icosa-5.8.11-trienoyloxy]-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazaniumN AuzeilM+HUMR CNRS 8038 Universite de Paris812.616viceleonoreN/A2022-04-26 02:53:14.0
2Comment(2-{[2-[icosa-5.8.11-trienoyloxy]-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazaniumN AuzeilM+HUMR CNRS 8038 Universit� de Paris812.616mpanitchpakdiN/A2020-09-01 17:41:03.0

Spectrum ID Ratings