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GNPS Library Spectrum CCMSLIB00008851202

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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Latest Library Spectrum Information

Spectrum ID	CCMSLIB00008851202
Compound Name	Anibacanine
PI	Beniddir/Le Pogam
Data Collector	Le Pogam
CAS Number	N/A
Original Submitter	mpanitchpakdi
Most Recent Revisor	mpanitchpakdi
Library Quality	Bronze Spectrum
Smiles	Oc1cccc(C[C@]23[H])c1CN2CCc4c3cc(O)c(OC)c4
InChI	InChI=1S/C18H19NO3/c1-22-18-8-12-5-6-19-10-14-11(3-2-4-16(14)20)7-15(19)13(12)9-17(18)21/h2-4,8-9,15,20-21H,5-7,10H2,1H3/t15-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:IQAMDB:accession:CCMSLIB00008851202
Precursor M/Z	298.144
Exact Mass	297.137
Charge	1
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	IQAMDB
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	Pubmed ID	Time
Spectrum Annotations and Comments Hits 1 ~ 1 out of 1 Go to Select columns
checked only
1	Comment	Anibacanine	Beniddir/Le Pogam	M+H	Le Pogam	298.144	mpanitchpakdi	N/A	2022-01-06 11:19:53.0

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