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GNPS Library Spectrum CCMSLIB00000078688

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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Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000078688
Compound Name	"NCGC00160277-01!3-Methoxy-dictamnine-4-(2,3,4-trimethoxy)-benzoic acid"
PI	Dorrestein
Data Collector	VVP/LMS
CAS Number	N/A
Original Submitter	vphelan
Most Recent Revisor	vphelan
Library Quality	Gold Spectrum
Smiles	COC1=CC(=CC(OC)=C1OC)C(=O)OC2=C(OC)C3=C(C=C2)C(OC)=C4C=COC4=N3
InChI	N/A
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-PRESTWICKPHYTOCHEM:accession:CCMSLIB00000078688
Precursor M/Z	440.135
Exact Mass	439.127
Charge	1
Adduct	M+H
Ion Source	LC-ESI
Instrument	qTOF
Ion Mode	Positive
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-PRESTWICKPHYTOCHEM
SPLASH Key	splash10-0002-0900000000-f0feb58247d0261a0d8a
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Spectrum Tags

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Spectrum Annotation History

Spectrum Annotations and Comments

Hits 1 ~ 1 out of 1

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Comment

Compound Name

PI

Adduct

Data_Collector

Precursor_MZ

user_id

Pubmed ID

Time

checked only

1

Comment

"NCGC00160277-01

3-Methoxy-dictamnine-4-(2,3,4-trimethoxy)-benzoic acid"

Dorrestein

M+H

VVP/LMS

440.135

vphelan

N/A

2014-05-02 16:39:07.0

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