Don't have an account? Register!

MassIVE Datasets | Documentation | Forum | Contact

GNPS Library Spectrum CCMSLIB00005723381

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

1200

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

1200

0.0

0.5

1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00005723381
Compound Name	MGDG (18:4/18:4)_(2S)-1,2-bis-O-(6Z,9Z,12Z,15Z-octadecatetranoyl)-3-beta-D-galactopyranosyl-sn-glycerol
PI	Deniz Tasdemir
Data Collector	Larissa Buedenbender
Pubmed
CAS Number
Original Submitter	la_bue
Most Recent Revisor	la_bue
Library Quality	Bronze Spectrum
Smiles	O[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC[C@@H](COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)OC1CO.C
InChI
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00005723381
Precursor M/Z	793.573
Exact Mass	0.0
Charge	0
Adduct	M+Na
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-LIBRARY
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 ~ 1 out of 1 Go to Select columns
checked only
1	Comment	MGDG (18:4/18:4)_(2S)-1,2-bis-O-(6Z,9Z,12Z,15Z-octadecatetranoyl)-3-beta-D-galactopyranosyl-sn-glycerol	Deniz Tasdemir	M+Na	Larissa Buedenbender	793.573	la_bue		2020-06-08 06:55:23.0

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".