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GNPS Library Spectrum CCMSLIB00000208782

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	CCMSLIB00000208782
Compound Name	ReSpect:PM000605 Vindolinine
PI	Putative ReSpect Match
Data Collector	ReSpect
Pubmed	16223089
CAS Number	5980-02-9
Original Submitter	mwang87
Most Recent Revisor	kimkami2
Library Quality	Bronze Spectrum
Smiles	C[C@@H]1[C@]23C[C@H]([C@@]14[C@@]5([C@H]2N(CC5)CC=C3)C6=CC=CC=C6N4)C(=O)OC
InChI	InChI=1S/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3/t13-,15+,18+,19+,20-,21-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:RESPECT:accession:CCMSLIB00000208782
Precursor M/Z	337.0
Exact Mass	336.184
Charge	1
Adduct	M+H
Ion Source	ESI
Instrument	Ion Trap
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	RESPECT
SPLASH Key	splash10-00di-0009000000-f2d5af97aed35daef493
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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 ~ 2 out of 2 Go to Select columns
checked only
1	Comment	ReSpect:PM000605 Vindolinine	Putative ReSpect Match	M+H	ReSpect	337.0	kimkami2	16223089	2021-03-20 15:30:42.0

2	Comment	ReSpect:PM000605 Vindolinine	Putative ReSpect Match	[M+H]	ReSpect	337.0	mwang87	16223089	2014-08-01 16:37:39.0

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