GNPS Library Spectrum CCMSLIB00005720935

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720935
Compound NamePE-P(16:0_16:0) - (2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-(hexadecanoyloxy)propoxy]phosphinic acid
PIO Laprevote
Data CollectorC-TAC
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisorviceleonore
Library QualityBronze Spectrum
Smiles[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:HCE-CELL-LYSATE-LIPIDS:accession:CCMSLIB00005720935
Precursor M/Z674.51
Exact Mass675.52
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentqTof
Ion ModeNegative
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipHCE-CELL-LYSATE-LIPIDS
SPLASH Keynull-null-null-null
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentPE-P(16:0_16:0) - (2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-(hexadecanoyloxy)propoxy]phosphinic acidO LaprevoteM-HC-TAC674.51viceleonoreN/A2022-04-29 05:09:44.0
2Comment(2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-(hexadecanoyloxy)propoxy]phosphinic acidO LaprevoteM-HC-TAC674.51mpanitchpakdiN/A2020-04-15 09:13:03.0

Spectrum ID Ratings