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GNPS Library Spectrum CCMSLIB00010128653

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	CCMSLIB00010128653
Compound Name	Truxinic acid derivative (5)
PI	Ferreira Queiroz
Data Collector	lfnothias
Pubmed
CAS Number
Original Submitter	lfnothias
Most Recent Revisor	lfnothias
Library Quality	Bronze Spectrum
Smiles	OC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(C3C(C4=CC(O)=C(OC5C(O)C(O)C(O)C(CO)O5)C=C4)C(C(O)=O)C3C(O)=O)=C1
InChI
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00010128653
Precursor M/Z	702.224
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
checked only

Spectrum Annotation History

	Comment	Compound Name	PI	Adduct	Data_Collector	Precursor_MZ	user_id	Pubmed ID	Time
Spectrum Annotations and Comments Hits 1 ~ 3 out of 3 Go to Select columns
checked only
1	Comment	Truxinic acid derivative (5)	Ferreira Queiroz	M+NH4	lfnothias	702.224	lfnothias		2022-11-07 05:52:13.0

2	Comment	Truxinic acid (5)	Ferreira Queiroz	M+NH4	lfnothias	702.224	lfnothias		2022-11-07 05:37:19.0

3	Comment	Truxinic acid (5)	Ferreira	M+NH4	lfnothias	702.224	lfnothias		2022-11-07 05:33:06.0

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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".