Don't have an account? Register!

MassIVE Datasets | Documentation | Forum | Contact

GNPS Library Spectrum CCMSLIB00005724074

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

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

100

200

300

400

500

600

700

800

900

1000

1100

0.0

0.5

1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00005724074
Compound Name	PC(17:1_18:1) - 3-((heptadec-9-enoyl)oxy)-2-(oleoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
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	[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O
InChI	N/A
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-IOBA-NHC:accession:CCMSLIB00005724074
Precursor M/Z	772.585
Exact Mass	771.578
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
Update Annotation
Add Spectrum Tag

Spectrum Tags

	Type	Description	Database	URL	URL	Remove Tag
Datasets ID Hits 1 ~ 0 out of 0 Go to Select columns
checked only

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	PC(17:1_18:1) - 3-((heptadec-9-enoyl)oxy)-2-(oleoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate	N Auzeil	M+H	UMR CNRS 8038 Universite de Paris	772.585	viceleonore	N/A	2022-04-26 02:33:15.0

2	Comment	3-((heptadec-9-enoyl)oxy)-2-(oleoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate	N Auzeil	M+H	UMR CNRS 8038 Universit� de Paris	772.585	mpanitchpakdi	N/A	2020-09-01 17:41:03.0

Spectrum ID Ratings

Adding Spectrum Tags

Tag Type

Tag Description

Database

Database URL

Add Sample Type Detected Spectrum Tag

Sample Type Detected Level 1

Sample Type Detected Level 2

Note: This is a spectrum tag that specifically describes the samples this molecules have been observed. The tag type will be listed by default as "Sample Type Detected".