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GNPS Library Spectrum CCMSLIB00000081566

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

0.5

1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000081566
Compound Name	2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-Ethanesulfonic acid
PI	Norberto Lopes
Data Collector	Norberto Lopes
CAS Number	1391054-56-0
Original Submitter	rsilva
Most Recent Revisor	rsilva
Library Quality	Bronze Spectrum
Smiles	NC1=NC(SCCS(=O)(O)=O)=NC(N)=N1
InChI	InChI=1S/C5H9N5O3S2/c6-3-8-4(7)10-5(9-3)14-1-2-15(11,12)13/h1-2H2,(H,11,12,13)(H4,6,7,8,9,10)
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000081566
Precursor M/Z	274.0
Exact Mass	251.015
Charge	1
Adduct	M+Na
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	splash10-0fk9-0590000000-7a3c1f7cc9aed4399091
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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	2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-Ethanesulfonic acid	Norberto Lopes	M+Na	Norberto Lopes	274.0	rsilva	N/A	2014-05-27 08:02:36.0

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