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GNPS Library Spectrum CCMSLIB00005724063

Ions:

a 1⁺ 2⁺ 3⁺
b 1⁺ 2⁺ 3⁺
c 1⁺ 2⁺ 3⁺
x 1⁺ 2⁺ 3⁺
y 1⁺ 2⁺ 3⁺
z 1⁺ 2⁺ 3⁺
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Neutral Loss:

NH₃ (*)
H₂O (o)
H₃PO₄ (p)

Immonium ions
Reporter ions

Mass Type:
Mono Avg

Mass Tol:
Th ppm

Peak Assignment:
Most Intense
Nearest Match
Peak Detect

Peak Labels:
Ionm/z
None

Width: 935

Height: 600

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Click and drag in the plot to zoom X: Y: Enable tooltip Plot mass error

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Latest Library Spectrum Information

Spectrum ID	CCMSLIB00005724063
Compound Name	PE(18:1_22:3) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(oleoyloxy)propan-2-yl-docosa-9.11.13-trienoate
PI	N Auzeil
Data Collector	UMR CNRS 8038 Universite de Paris
CAS Number	N/A
Original Submitter	mpanitchpakdi
Most Recent Revisor	viceleonore
Library Quality	Bronze Spectrum
Smiles	[H][C@@](COP(O)(OCCN)=O)(OC(CCCCCCC/C=C/C=C/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O
InChI	N/A
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724063
Precursor M/Z	796.589
Exact Mass	795.578
Charge	1
Adduct	M+H
Ion Source	LC-ESI
Instrument	qTof
Ion Mode	Positive
Provenance LCMS File Viewer	View Provenance Full LCMS File
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	GNPS-IOBA-NHC
SPLASH Key	null-null-null-null
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Spectrum Tags

	Type	Description	Database	URL	URL	Remove Tag
Datasets ID Hits 1 ~ 0 out of 0 Go to Select columns
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Spectrum Annotation History

	Comment	Compound Name	PI	Adduct	Data_Collector	Precursor_MZ	user_id	Pubmed ID	Time
Spectrum Annotations and Comments Hits 1 ~ 4 out of 4 Go to Select columns
checked only
1	Comment	PE(18:1_22:3) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(oleoyloxy)propan-2-yl-docosa-9.11.13-trienoate	N Auzeil	M+H	UMR CNRS 8038 Universite de Paris	796.589	viceleonore	N/A	2022-04-26 02:02:47.0

2	Comment	c - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(oleoyloxy)propan-2-yl-docosa-9.11.13-trienoate	N Auzeil	M+H	UMR CNRS 8038 Universite de Paris	796.589	viceleonore	N/A	2022-04-26 02:01:43.0

3	Comment	PE(18:1_22:3) - 1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(oleoyloxy)propan-2-yl-docosa-9.11.13-trienoate	N Auzeil	M+H	UMR CNRS 8038 Universite de Paris	796.589	nicauz1	N/A	2022-04-25 07:05:28.0

4	Comment	1-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(oleoyloxy)propan-2-yl-docosa-9.11.13-trienoate	N Auzeil	M+H	UMR CNRS 8038 Universit� de Paris	796.589	mpanitchpakdi	N/A	2020-09-01 17:41:03.0

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