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GNPS Library Spectrum CCMSLIB00013581279

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⁺
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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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Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00013581279
Compound Name	Buspirone_hydrochloride
PI	Axel_Marchal
Data Collector	TE_MLS
CAS Number	33386-08-2
Original Submitter	jzemlin
Most Recent Revisor	jzemlin
Library Quality	Gold Spectrum
Smiles	Cl.O=C1N(C(=O)CC2(C1)CCCC2)CCCCN3CCN(C4=NC=CC=N4)CC3
InChI	"InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H"
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:WINE-DB-ORBITRAP:accession:CCMSLIB00013581279
Precursor M/Z	386.254
Exact Mass	385.5
Charge	1
Adduct	M+H
Ion Source	ESI
Instrument	Orbitrap
Ion Mode	Positive
Spectrum Provenance Input File	Download Provenance File
Download Library Spectrum Peaks	Download Spectrum Peaks
Library Membership	WINE-DB-ORBITRAP
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
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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 ~ 1 out of 1 Go to Select columns
checked only
1	Comment	Buspirone_hydrochloride	Axel_Marchal	M+H	TE_MLS	386.254	jzemlin	N/A	2025-03-07 09:30:43.0

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