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GNPS Library Spectrum CCMSLIB00000081554

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	CCMSLIB00000081554
Compound Name	3',4',5'-Trimethoxyacetophenone
PI	Norberto Lopes
Data Collector	Monica Pupo
CAS Number	1136-86-3
Original Submitter	rsilva
Most Recent Revisor	rsilva
Library Quality	Bronze Spectrum
Smiles	CC(C1=CC(OC)=C(OC)C(OC)=C1)=O
InChI	InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000081554
Precursor M/Z	211.09
Exact Mass	210.089
Charge	1
Adduct	M+H
Ion Source	DI-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	splash10-0udr-0900000000-b6bc4f052321344225eb
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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	3',4',5'-Trimethoxyacetophenone	Norberto Lopes	M+H	Monica Pupo	211.09	rsilva	N/A	2014-05-27 08:02:36.0

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