MassIVE Datasets | Documentation | Forum | Contact

GNPS Library Spectrum CCMSLIB00013581282

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

75

100

125

150

175

200

225

250

275

300

0%

10%

20%

30%

40%

50%

60%

70%

80%

90%

100%

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

75

100

125

150

175

200

225

250

275

300

0.0

0.5

1.0

Th

Latest Library Spectrum Information

Spectrum ID	CCMSLIB00013581282
Compound Name	2?,6?-Dihydroxy-4,4?-dimethoxydihydrochalcone
PI	Axel_Marchal
Data Collector	TE_MLS
CAS Number	35241-54-4
Original Submitter	jzemlin
Most Recent Revisor	jzemlin
Library Quality	Gold Spectrum
Smiles	O=C(C=1C(O)=CC(OC)=CC1O)CCC2=CC=C(OC)C=C2
InChI	InChI=1S/C17H18O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-4,6-7,9-10,19-20H,5,8H2,1-2H3
Structure
NPAtlas/MIBiG
External Chemical Resources	View All External Resources
Metabolomics Spectrum Resolver	mzspec:GNPS:WINE-DB-ORBITRAP:accession:CCMSLIB00013581282
Precursor M/Z	303.122
Exact Mass	302.32
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
Update Annotation
Add Spectrum Tag

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	2?,6?-Dihydroxy-4,4?-dimethoxydihydrochalcone	Axel_Marchal	M+H	TE_MLS	303.122	jzemlin	N/A	2025-03-07 09:30:43.0

Spectrum ID Ratings

Adding Spectrum Tags

Tag Type

Tag Description

Database

Database URL

Add Sample Type Detected Spectrum Tag

Sample Type Detected Level 1

Sample Type Detected Level 2

Note: This is a spectrum tag that specifically describes the samples this molecules have been observed. The tag type will be listed by default as "Sample Type Detected".