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GNPS Library Spectrum CCMSLIB00000425036

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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Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000425036
Compound Name	HMDB:HMDB00620-837 Glutaconic acid
PI	HMDB
Data Collector	HMDB
CAS Number	1724-02-3
Original Submitter	mwang87
Most Recent Revisor	mwang87
Library Quality	Bronze Spectrum
Smiles	OC(=O)C\C=C\C(O)=O
InChI	InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:HMDB:accession:CCMSLIB00000425036
Precursor M/Z	129.019
Exact Mass	130.027
Charge	1
Adduct	M-H
Ion Source	Negative
Instrument	Quattro_QQQ:10eV
Ion Mode	Negative
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	HMDB
SPLASH Key	splash10-000i-9000000000-6fb6cc9ab31410b273f1
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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	HMDB:HMDB00620-837 Glutaconic acid	HMDB	M-H	HMDB	129.019	mwang87	N/A	2015-02-20 17:07:30.0

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