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GNPS Library Spectrum CCMSLIB00000208808

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	CCMSLIB00000208808
Compound Name	ReSpect:PM000803 2-Deacetyldecinnamoyl taxinine E
PI	Putative ReSpect Match
Data Collector	ReSpect
Pubmed	11899602
CAS Number	161956-26-9
Original Submitter	mwang87
Most Recent Revisor	kimkami2
Library Quality	Bronze Spectrum
Smiles	CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H](C(C2(C)C)C[C@@H]1OC(=O)C)O)O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C26H38O8/c1-12-18(30)9-10-26(8)20(12)22(31)17-11-19(32-14(3)27)13(2)21(25(17,6)7)23(33-15(4)28)24(26)34-16(5)29/h17-20,22-24,30-31H,1,9-11H2,2-8H3/t17?,18-,19-,20-,22+,23+,24-,26+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:RESPECT:accession:CCMSLIB00000208808
Precursor M/Z	479.0
Exact Mass	478.257
Charge	1
Adduct	M+H
Ion Source	ESI
Instrument	QQQ
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	RESPECT
SPLASH Key	splash10-001a-0793200000-59bff0283e92a2513ef9
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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:PM000803 2-Deacetyldecinnamoyl taxinine E	Putative ReSpect Match	M+H	ReSpect	479.0	kimkami2	11899602	2021-03-20 15:31:48.0

2	Comment	ReSpect:PM000803 2-Deacetyldecinnamoyl taxinine E	Putative ReSpect Match	[M+H]	ReSpect	479.0	mwang87	11899602	2014-08-01 16:37:39.0

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