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GNPS Library Spectrum CCMSLIB00000479723

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	CCMSLIB00000479723
Compound Name	Octanoic acid
PI	Alexandrov Theodore
Data Collector	Prasad
Pubmed	379
CAS Number	124-07-2
Original Submitter	pphapale
Most Recent Revisor	pphapale
Library Quality	Gold Spectrum
Smiles	N/A
InChI	"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)"
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-EMBL-MCF:accession:CCMSLIB00000479723
Precursor M/Z	143.11
Exact Mass	144.115
Charge	1
Adduct	M-H
Ion Source	DI-ESI
Instrument	Orbitrap
Ion Mode	Negative
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-EMBL-MCF
SPLASH Key	splash10-0006-0900000000-d219a0c6559a4783fd81
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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	Octanoic acid	Alexandrov Theodore	M-H	Prasad	143.11	pphapale	379	2016-11-21 12:11:07.0

2	Comment	Octanoic acid	Alexandrov Theodore	M-H	Prasad	144.21	pphapale	379	2015-08-16 11:45:22.0

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