MassBank:KOX00836p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Protopine

IDs and Links
MassBank	Protopine
CAS	130-86-9
Keio ID	P070+

Top 10 Similar Molecules of Protopine

Ranking	About scoring
KOX00658p Score:58.56 KOX00236p Score:21.16 KOX00880p Score:15.91 KOX00870p Score:15.91 KOX00580p Score:15.91 KOX00895p Score:14.2 KOX00882p Score:14.2 KOX00582p Score:12.89 KOX00485p Score:12.67 KOX00053p Score:12.67	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。

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Annotations

Precursor	Product	Comments
C20H20NO5 (354)	C20H18NO4 (336)	-H2O
C20H20NO5 (354)	C11H12NO3 (206)	b
C20H20NO5 (354)	C9H9O2 (149)	a
C11H12NO3 (206)	C11H11NO2 (189)	IT
C11H12NO3 (206)	C11H10NO2 (188)	IT
C11H12NO3 (206)	C9H9O2* (149)	ITinc

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。

KOX00836p	354 C20H20NO5	336 C20H18NO4	275 C18H11O3	247 C17H11O2	235 C16H11O2	206 C11H12NO3	189 C11H11NO2	188 C11H10NO2	149 C9H9O2	135 C8H7O2	119 C8H7O	118 C8H8N	107 C7H7O	91 C7H7
354 C20H20NO5
336 C20H18NO4	H2O
275 C18H11O3	C2H9NO2	C2H7NO
247 C17H11O2	C3H9NO3	C3H7NO2	CO
235 C16H11O2	C4H9NO3	C4H7NO2	C2O	C
206 C11H12NO3	C9H8O2	C9H6O
189 C11H11NO2	C9H9O3	C9H7O2				HO
188 C11H10NO2	C9H10O3	C9H8O2				H2O	H
149 C9H9O2	C11H11NO3	C11H9NO2	C9H2O	C8H2	C7H2	C2H3NO	C2H2N	C2HN
135 C8H7O2	C12H13NO3	C12H11NO2	C10H4O	C9H4	C8H4	C3H5NO	C3H4N	C3H3N	CH2
119 C8H7O	C12H13NO4	C12H11NO3	C10H4O2	C9H4O	C8H4O	C3H5NO2	C3H4NO	C3H3NO	CH2O	O
118 C8H8N	C12H12O5	C12H10O4				C3H4O3	C3H3O2	C3H2O2
107 C7H7O	C13H13NO4	C13H11NO3	C11H4O2	C10H4O	C9H4O	C4H5NO2	C4H4NO	C4H3NO	C2H2O	CO	C
91 C7H7	C13H13NO5	C13H11NO4	C11H4O3	C10H4O2	C9H4O2	C4H5NO3	C4H4NO2	C4H3NO2	C2H2O2	CO2	CO	CHN	O

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