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GNPS Library Spectrum CCMSLIB00010128655

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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Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00010128655
Compound Name	7,7'-bis(3,4-dihydroxyphenyl)-8,8'-cyclobutanedicarboxylic acid
PI	Ferreira Queiroz
Data Collector	lfnothias
Pubmed
CAS Number
Original Submitter	lfnothias
Most Recent Revisor	lfnothias
Library Quality	Bronze Spectrum
Smiles	OC1=C(O)C=CC(C2C(C3=CC(O)=C(O)C=C3)C(C(O)=O)C2C(O)=O)=C1
InChI
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00010128655
Precursor M/Z	378.119
Exact Mass	0.0
Charge	1
Adduct	M+NH4
Ion Source	LC-ESI
Instrument	Orbitrap
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
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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	Time
Spectrum Annotations and Comments Hits 1 ~ 1 out of 1 Go to Select columns
checked only
1	Comment	7,7'-bis(3,4-dihydroxyphenyl)-8,8'-cyclobutanedicarboxylic acid	Ferreira Queiroz	M+NH4	lfnothias	378.119	lfnothias	2022-11-07 05:49:36.0

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