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GNPS Library Spectrum CCMSLIB00000081738

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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Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000081738
Compound Name	Quercetin 3,7-dimethyl ether
PI	Norberto Lopes
Data Collector	Gobbo Neto
CAS Number	2068-02-02
Original Submitter	rsilva
Most Recent Revisor	rsilva
Library Quality	Bronze Spectrum
Smiles	OC1=C(O)C=C(C2=C(OC)C(C3=C(O)C=C(OC)C=C3O2)=O)C=C1
InChI	InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000081738
Precursor M/Z	329.062
Exact Mass	330.074
Charge	1
Adduct	M-H
Ion Source	DI-ESI
Instrument	qTof
Ion Mode	Negative
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	GNPS-LIBRARY
SPLASH Key	splash10-022m-0091000000-0d430711ff8041f6baf4
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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 ~ 1 out of 1 Go to Select columns
checked only
1	Comment	Quercetin 3,7-dimethyl ether	Norberto Lopes	M-H	Gobbo Neto	329.062	rsilva	N/A	2014-05-27 12:26:35.0

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