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GNPS Library Spectrum CCMSLIB00000001547

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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0.0

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1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000001547
Compound Name	3-Des-Microcystein_LR
PI	Gerwick
Data Collector	Jenia
CAS Number	N/A
Original Submitter	mwang87
Most Recent Revisor	lfnothias
Library Quality	Gold Spectrum
Smiles	CC(C)CC1NC(=O)C(C)NC(=O)C(=C)N(C)C(=O)CCC(NC(=O)C(C)C(NC(=O)C(CCCNC(N)=N)NC(=O)C(C)C(NC1=O)C(O)=O)\C=C\C(\C)=C\C(C)C(O)Cc1ccccc1)C(O)=O
InChI	N/A
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001547
Precursor M/Z	981.54
Exact Mass	0.0
Charge	0
Adduct	M+H
Ion Source	LC-ESI
Instrument	qTof
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	GNPS-LIBRARY
SPLASH Key	splash10-0w2a-0001282259-5e9c1d46c6b19592f122
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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
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	3-Des-Microcystein_LR	Gerwick	M+H	Jenia	981.54	lfnothias	N/A	2019-10-30 21:18:25.0

2	Comment	3-Des-Microcystein_LR	Gerwick	M+H	Jenia	981.4	mwang87	N/A	2014-02-04 17:56:43.0

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