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GNPS Library Spectrum CCMSLIB00000001554

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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Latest Library Spectrum Information

Spectrum ID	CCMSLIB00000001554
Compound Name	Cyclomarin A
PI	Fenical-Jensen-Moore
Data Collector	Max
CAS Number	N/A
Original Submitter	mwang87
Most Recent Revisor	zhz077
Library Quality	Gold Spectrum
Smiles	C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C[C@@H](C)CO)C)[C@@H](C2=CN(C3=CC=CC=C32)C(C)(C)[C@@H]4CO4)O)[C@H](C)C=C(C)C)CC(C)C)C)C(C)C)[C@@H](C5=CC=CC=C5)OC
InChI	InChI=1S/C56H82N8O11/c1-30(2)24-34(8)44-52(70)60-45(47(66)38-27-64(56(10,11)42-29-75-42)39-23-19-18-22-37(38)39)55(73)63(13)41(26-33(7)28-65)50(68)57-35(9)49(67)61-46(48(74-14)36-20-16-15-17-21-36)53(71)58-43(32(5)6)54(72)62(12)40(25-31(3)4)51(69)59-44/h15-24,27,31-35,40-48,65-66H,25-26,28-29H2,1-14H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)/t33-,34-,35+,40+,41+,42+,43+,44+,45+,46+,47-,48-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001554
Precursor M/Z	1025.61
Exact Mass	1042.61
Charge	1
Adduct	M+H-H2O
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	splash10-00or-6645935000-92aab2d9d97b2ec47cb4
Update Annotation
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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 ~ 4 out of 4 Go to Select columns
checked only
1	Comment	Cyclomarin A	Fenical-Jensen-Moore	M+H-H2O	Max	1025.61	zhz077	N/A	2019-07-23 10:41:12.0

2	Comment	Cyclomarin A	Fenical-Jensen-Moore	M+H-H2O	Max	0.0	zhz077	N/A	2019-07-22 14:37:12.0

3	Comment	Cyclomarin A	Fenical-Jensen-Moore	M+H-H2O	Max	1025.61	mwang87	N/A	2014-10-20 09:25:49.0

4	Comment	Cyclomarin A	Fenical-Jensen-Moore	M+-H20+H	Max	1025.61	mwang87	N/A	2014-02-04 17:56:31.0

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