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GNPS Library Spectrum CCMSLIB00006435690

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

357.202

357.203

357.204

357.205

357.206

357.207

357.208

357.209

357.210

357.211

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Click and drag in the plot to zoom X: Y: Enable tooltip Plot mass error

357.202

357.203

357.204

357.205

357.206

357.207

357.208

357.209

357.210

357.211

0.0

0.5

1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00006435690
Compound Name	14-Deoxyandrographolide
PI	BMDMS-NP
Data Collector	BMDMS-NP
CAS Number	N/A
Original Submitter	mwang87
Most Recent Revisor	mwang87
Library Quality	Gold Spectrum
Smiles	O=C1OCC=C1CCC2C(=C)CCC3C(C)(CO)C(O)CCC23C
InChI	InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:BMDMS-NP:accession:CCMSLIB00006435690
Precursor M/Z	357.2
Exact Mass	334.214
Charge	1
Adduct	[M+Na]+
Ion Source	ESI
Instrument	Orbitrap
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	BMDMS-NP
SPLASH Key	null-null-null-null
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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 ~ 1 out of 1 Go to Select columns
checked only
1	Comment	14-Deoxyandrographolide	BMDMS-NP	[M+Na]+	BMDMS-NP	357.2	mwang87	N/A	2021-05-21 10:24:01.0

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