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GNPS Library Spectrum CCMSLIB00005877201

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	CCMSLIB00005877201
Compound Name	Biarylitide YYH
PI	Maffioli/NAICONS
Data Collector	Zdouc_M
Pubmed	33321099
CAS Number	N/A
Original Submitter	SoniaMaffioli
Most Recent Revisor	SoniaMaffioli
Library Quality	Bronze Spectrum
Smiles	OC(C(CC1=CN=C2N1)NC(C(CC3=CC=C(O)C=C3)NC(C(CC4=CC=C(O)C2=C4)NC(C)=O)=O)=O)=O
InChI	ZPRWGNIYRGILHV-UHFFFAOYSA-N
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00005877201
Precursor M/Z	522.198
Exact Mass	522.199
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	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	Pubmed ID	Time
Spectrum Annotations and Comments Hits 1 ~ 2 out of 2 Go to Select columns
checked only
1	Comment	Biarylitide YYH	Maffioli/NAICONS	M+H	Zdouc_M	522.198	SoniaMaffioli	33321099	2021-03-06 01:59:29.0

2	Comment	Biarylitide YYH	Maffioli/NAICONS	M+H	Zdouc_M	522.198	SoniaMaffioli		2021-03-06 01:53:05.0

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Note: This is a spectrum tag that specifically describes the samples this molecules have been observed. The tag type will be listed by default as "Sample Type Detected".