PubChemLite - Hesperetin 5-o-glucoside (C22H24O11)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O

InChI

InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3

InChIKey

QSLBWGKNSBMTJL-UHFFFAOYSA-N

Compound name

7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	465.13915	205.8
[M+Na]+	487.12109	210.5
[M-H]-	463.12459	210.3
[M+NH4]+	482.16569	208.2
[M+K]+	503.09503	211.1
[M+H-H2O]+	447.12913	196.5
[M+HCOO]-	509.13007	211.6
[M+CH3COO]-	523.14572	228.8
[M+Na-2H]-	485.10654	203.8
[M]+	464.13132	206.9
[M]-	464.13242	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.13915

205.8

[M+Na]+

487.12109

210.5

[M-H]-

463.12459

210.3

[M+NH4]+

482.16569

208.2

[M+K]+

503.09503

211.1

[M+H-H2O]+

447.12913

196.5

[M+HCOO]-

509.13007

211.6

[M+CH3COO]-

523.14572

228.8

[M+Na-2H]-

485.10654

203.8

[M]+

464.13132

206.9

[M]-

464.13242

206.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hesperetin 5-o-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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