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GNPS Library Spectrum CCMSLIB00005737998

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⁺
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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	CCMSLIB00005737998
Compound Name	Massbank:RP020301 C8-homoserine lactone\|N-Octanoyl-DL-homoserine lactone\|N-(2-oxooxolan-3-yl)octanamide
PI	Massbank
Data Collector	Massbank
CAS Number	106983-30-6
Original Submitter	mwang87
Most Recent Revisor	mwang87
Library Quality	Bronze Spectrum
Smiles	CCCCCCCC(=O)NC1CCOC1=O
InChI	1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:MASSBANK:accession:CCMSLIB00005737998
Precursor M/Z	228.159
Exact Mass	0.0
Charge	1
Adduct	M+H
Ion Source	ESI
Instrument	qTof
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	MASSBANK
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	Massbank:RP020301 C8-homoserine lactone\|N-Octanoyl-DL-homoserine lactone\|N-(2-oxooxolan-3-yl)octanamide	Massbank	M+H	Massbank	228.159	mwang87	N/A	2020-11-16 20:03:48.0

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