GNPS Library Spectrum CCMSLIB00003134510

50
100
150
200
250
300
350
400
450
500
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 IDCCMSLIB00003134510
Compound NameSpectral Match to 1-Hexadecanoyl-sn-glycero-3-phosphocholine from NIST14
PIData from Wolfender/Litaudon
Data CollectorData deposited by pmallard
CAS NumberN/A
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChIInChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIST14-MATCHES:accession:CCMSLIB00003134510
Precursor M/Z518.322
Exact Mass495.332
Charge1
AdductM+Na
Ion SourceESI
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-NIST14-MATCHES
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
1CommentSpectral Match to 1-Hexadecanoyl-sn-glycero-3-phosphocholine from NIST14Data from Wolfender/LitaudonM+NaData deposited by pmallard518.322kimkami2N/A2021-03-20 18:26:35.0
2CommentSpectral Match to 1-Hexadecanoyl-sn-glycero-3-phosphocholine from NIST14Data from Wolfender/LitaudonM+NaData deposited by pmallard518.322mwang87N/A2017-07-18 12:57:57.0

Spectrum ID Ratings