Ojima:KOX00298p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Glycyrrhetinate

IDs and Links
MassBank	Glycyrrhetinate
CAS	1449-05-4 471-53-4
Keio ID	G075+

Top 10 Similar Molecules of Glycyrrhetinate

Ranking	About scoring
G075+ Score:123.56 D078+ Score:11.95 D185+ Score:6.23 A061+ Score:6.23 G057+ Score:6.23 M039+ Score:5.72 F016+ Score:5.72	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment

Pages Related to Peak C30H47O4:   G057+  G075+   Pages Related to Peak C29H45O2:   G075+   Pages Related to Peak C29H43O:   G075+   Pages Related to Peak C20H29O3:   G075+   Pages Related to Peak C19H27O:   G075+   Pages Related to Peak C16H23O3:   G075+   Pages Related to Peak C15H23O2:   G075+   Pages Related to Peak C11H21O4:   G075+   Pages Related to Peak C14H21:   G075+   Pages Related to Peak C13H21:   G075+   Pages Related to Peak C13H19:   G075+   Pages Related to Peak C13H17:   G075+   Pages Related to Peak C12H17:   G075+   Pages Related to Peak C10H13O:   G075+  D185+   Pages Related to Peak C10H15:   G075+  A061+   Pages Related to Peak C9H13:   G075+   Pages Related to Peak C9H11:   G075+   Pages Related to Peak C8H13:   G075+  D078+   Pages Related to Peak C7H11:   G075+  D078+  F016+  M039+

Annotations

Precursor	Product	Comments
C30H47O4 (471)	C29H45O2 (425)	a
C29H45O2 (425)	C29H43O (407)	IT

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KOX00298p	471 C30H47O4	425 C29H45O2	407 C29H43O	317 C20H29O3	271 C19H27O	263 C16H23O3	235 C15H23O2	217 C11H21O4	189 C14H21	177 C13H21	175 C13H19	173 C13H17	161 C12H17	149 C10H13O	135 C10H15	121 C9H13	119 C9H11	109 C8H13	95 C7H11
471 C30H47O4
425 C29H45O2	CH2O2
407 C29H43O	CH4O3	H2O
317 C20H29O3	C10H18O
271 C19H27O	C11H20O3	C10H18O	C10H16	CH2O2
263 C16H23O3	C14H24O			C4H6
235 C15H23O2	C15H24O2	C14H22		C5H6O		CO
217 C11H21O4	C19H26
189 C14H21	C16H26O4	C15H24O2	C15H22O	C6H8O3	C5H6O	C2H2O3	CH2O2
177 C13H21	C17H26O4	C16H24O2	C16H22O	C7H8O3	C6H6O	C3H2O3	C2H2O2		C
175 C13H19	C17H28O4	C16H26O2	C16H24O	C7H10O3	C6H8O	C3H4O3	C2H4O2		CH2	H2
173 C13H17	C17H30O4	C16H28O2	C16H26O	C7H12O3	C6H10O	C3H6O3	C2H6O2		CH4	H4	H2
161 C12H17	C18H30O4	C17H28O2	C17H26O	C8H12O3	C7H10O	C4H6O3	C3H6O2		C2H4	CH4	CH2	C
149 C10H13O	C20H34O3	C19H32O	C19H30	C10H16O2	C9H14	C6H10O2	C5H10O	CH8O3
135 C10H15	C20H32O4	C19H30O2	C19H28O	C10H14O3	C9H12O	C6H8O3	C5H8O2	CH6O4	C4H6	C3H6	C3H4	C3H2	C2H2
121 C9H13	C21H34O4	C20H32O2	C20H30O	C11H16O3	C10H14O	C7H10O3	C6H10O2	C2H8O4	C5H8	C4H8	C4H6	C4H4	C3H4	CO	CH2
119 C9H11	C21H36O4	C20H34O2	C20H32O	C11H18O3	C10H16O	C7H12O3	C6H12O2	C2H10O4	C5H10	C4H10	C4H8	C4H6	C3H6	CH2O	CH4	H2
109 C8H13	C22H34O4	C21H32O2	C21H30O	C12H16O3	C11H14O	C8H10O3	C7H10O2	C3H8O4	C6H8	C5H8	C5H6	C5H4	C4H4	C2O	C2H2	C
95 C7H11	C23H36O4	C22H34O2	C22H32O	C13H18O3	C12H16O	C9H12O3	C8H12O2	C4H10O4	C7H10	C6H10	C6H8	C6H6	C5H6	C3H2O	C3H4	C2H2	C2	CH2

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