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GNPS Library Spectrum CCMSLIB00004689977

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

196.961

196.962

196.963

196.964

196.965

196.966

196.967

196.968

196.969

196.970

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Click and drag in the plot to zoom X: Y: Enable tooltip Plot mass error

196.961

196.962

196.963

196.964

196.965

196.966

196.967

196.968

196.969

196.970

0.0

0.5

1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00004689977
Compound Name	Emodin
PI	MoNA
Data Collector	MoNA:VF-NPL-LTQ006519
CAS Number	N/A
Original Submitter	mwang87
Most Recent Revisor	mwang87
Library Quality	Bronze Spectrum
Smiles	N/A
InChI	InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:MONA:accession:CCMSLIB00004689977
Precursor M/Z	269.058
Exact Mass	0.0
Charge	1
Adduct	M-H
Ion Source	N/A
Instrument	Linear Ion Trap
Ion Mode	negative
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	MONA
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
checked only

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	Emodin	MoNA	M-H	MoNA:VF-NPL-LTQ006519	269.058	mwang87	N/A	2018-10-08 19:44:36.0

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