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GNPS Library Spectrum CCMSLIB00000001575

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	CCMSLIB00000001575
Compound Name	Barbamide
PI	Gerwick
Data Collector	Jenia
CAS Number	N/A
Original Submitter	mwang87
Most Recent Revisor	zhz077
Library Quality	Gold Spectrum
Smiles	CO\C(CC(C)C(Cl)(Cl)Cl)=C\C(=O)N(C)C(CC1=CC=CC=C1)C1=NC=CS1
InChI	InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001575
Precursor M/Z	461.0
Exact Mass	0.0
Charge	0
Adduct	M+H
Ion Source	LC-ESI
Instrument	Ion Trap
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	GNPS-LIBRARY
SPLASH Key	splash10-014i-0190000000-38e1501fdc5f64e422f3
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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 ~ 3 out of 3 Go to Select columns
checked only
1	Comment	Barbamide	Gerwick	M+H	Jenia	461.0	zhz077	N/A	2019-07-23 10:41:14.0

2	Comment	Barbamide	Gerwick	M+H	Jenia	0.0	zhz077	N/A	2019-07-22 13:57:19.0

3	Comment	Barbamide	Gerwick	M+H	Jenia	461.0	mwang87	N/A	2014-02-04 17:56:43.0

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