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GNPS Library Spectrum CCMSLIB00005720915

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⁺
[Deselect All]

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	CCMSLIB00005720915
Compound Name	FA(22:3) - 13.16.19-docosatrienoic acid
PI	O Laprevote
Data Collector	C-TAC
CAS Number	N/A
Original Submitter	mpanitchpakdi
Most Recent Revisor	viceleonore
Library Quality	Bronze Spectrum
Smiles	C(CCCCCCCCCCC/C=C/C/C=C/C/C=C/CC)(=O)O
InChI	N/A
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:HCE-CELL-LYSATE-LIPIDS:accession:CCMSLIB00005720915
Precursor M/Z	333.279
Exact Mass	334.287
Charge	1
Adduct	M-H
Ion Source	LC-ESI
Instrument	qTof
Ion Mode	Negative
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	HCE-CELL-LYSATE-LIPIDS
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 ~ 2 out of 2 Go to Select columns
checked only
1	Comment	FA(22:3) - 13.16.19-docosatrienoic acid	O Laprevote	M-H	C-TAC	333.279	viceleonore	N/A	2022-04-29 02:28:48.0

2	Comment	13.16.19-docosatrienoic acid	O Laprevote	M-H	C-TAC	333.279	mpanitchpakdi	N/A	2020-04-15 09:13:03.0

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