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GNPS Library Spectrum CCMSLIB00000001566

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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0.0

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1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000001566
Compound Name	Exumolide A
PI	Fenical-Jensen-Moore
Data Collector	Max
CAS Number	N/A
Original Submitter	mwang87
Most Recent Revisor	zhz077
Library Quality	Gold Spectrum
Smiles	CC(C)C[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O
InChI	InChI=1S/C41H55N5O7/c1-26(2)22-34-37(48)42-30(24-28-14-8-6-9-15-28)36(47)43-31(25-29-16-10-7-11-17-29)38(49)46-21-13-19-33(46)41(52)53-35(23-27(3)4)40(51)45-20-12-18-32(45)39(50)44(34)5/h6-11,14-17,26-27,30-35H,12-13,18-25H2,1-5H3,(H,42,48)(H,43,47)/t30-,31-,32-,33-,34-,35-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001566
Precursor M/Z	752.399
Exact Mass	729.41
Charge	1
Adduct	M+Na
Ion Source	LC-ESI
Instrument	qTof
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	GNPS-LIBRARY
SPLASH Key	splash10-0udi-0000111900-4e7f703df9657f1f651e
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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 ~ 3 out of 3 Go to Select columns
checked only
1	Comment	Exumolide A	Fenical-Jensen-Moore	M+Na	Max	752.399	zhz077	N/A	2019-07-23 10:41:13.0

2	Comment	Exumolide A	Fenical-Jensen-Moore	M+Na	Max	0.0	zhz077	N/A	2019-07-22 14:37:13.0

3	Comment	Exumolide A	Fenical-Jensen-Moore	M+Na	Max	752.399	mwang87	N/A	2014-02-04 17:56:31.0

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