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GNPS Library Spectrum CCMSLIB00000425029

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	CCMSLIB00000425029
Compound Name	HMDB:HMDB0002364 Oleanolic acid
PI	HMDB
Data Collector	HMDB
CAS Number	508-02-1
Original Submitter	mwang87
Most Recent Revisor	ZCW123456
Library Quality	Bronze Spectrum
Smiles	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
InChI	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:HMDB:accession:CCMSLIB00000425029
Precursor M/Z	455.711
Exact Mass	456.711
Charge	1
Adduct	M-H
Ion Source	LC-ESI
Instrument	qTof
Ion Mode	Negative
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	HMDB
SPLASH Key	splash10-00dr-0900000000-ac5e7141a1f9a408fc34
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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 ~ 2 out of 2 Go to Select columns
checked only
1	Comment	HMDB:HMDB0002364 Oleanolic acid	HMDB	M-H	HMDB	455.711	ZCW123456	N/A	2023-04-04 02:27:12.0

2	Comment	HMDB:HMDB04095-2361 5-Methoxytryptamine	HMDB	M-H	HMDB	189.103	mwang87	N/A	2015-02-20 17:07:30.0

Spectrum ID Ratings

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