PubChemLite - Matsutakeside i (C30H36O14)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCOC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O

InChI

InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3

InChIKey

JKLGFSBPEZTFTQ-UHFFFAOYSA-N

Compound name

2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

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]+	621.21778	249.1
[M+Na]+	643.19972	251.4
[M-H]-	619.20322	246.2
[M+NH4]+	638.24432	250.9
[M+K]+	659.17366	258.2
[M+H-H2O]+	603.20776	244.4
[M+HCOO]-	665.20870	252.3
[M+CH3COO]-	679.22435	256.0
[M+Na-2H]-	641.18517	264.5
[M]+	620.20995	257.2
[M]-	620.21105	257.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

621.21778

249.1

[M+Na]+

643.19972

251.4

[M-H]-

619.20322

246.2

[M+NH4]+

638.24432

250.9

[M+K]+

659.17366

258.2

[M+H-H2O]+

603.20776

244.4

[M+HCOO]-

665.20870

252.3

[M+CH3COO]-

679.22435

256.0

[M+Na-2H]-

641.18517

264.5

[M]+

620.20995

257.2

[M]-

620.21105

257.2

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

Matsutakeside i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe