MassBank:KOX00867p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sanguinarine

IDs and Links
MassBank	Sanguinarine
CAS	2447-54-3
Keio ID	S042+

Top 10 Similar Molecules of Sanguinarine

Ranking	About scoring
KOX00907p Score:6.63 KOX00658p Score:6.63	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 C15H9:   KOX00658p   Pages Related to Peak C3H7O2:   KOX00907p

Annotations

Precursor	Product	Comments
C20H14NO4 (332)	C19H11NO4 (317)	a,rad.
C20H14NO4 (332)	C19H12NO3 (302)	x
C20H14NO4 (332)	C3H7O2 (75)	b[c]

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。

KOX00867p	332 C20H14NO4	317 C19H11NO4	304 C19H14NO3	302 C19H12NO3	289 C18H11NO3	274 C18H12NO2	261 C17H11NO2	246 C17H12NO	218 C16H12N	203 C15H9N	189 C15H9	177 C14H9	176 C14H8	163 C9H9NO2	75 C3H7O2
332 C20H14NO4
317 C19H11NO4	CH3
304 C19H14NO3	CO
302 C19H12NO3	CH2O		H2
289 C18H11NO3	C2H3O	CO	CH3	CH
274 C18H12NO2	C2H2O2		CH2O	CO
261 C17H11NO2	C3H3O2	C2O2	C2H3O	C2HO	CO	CH
246 C17H12NO	C3H2O3		C2H2O2	C2O2		CO
218 C16H12N	C4H2O4		C3H2O3	C3O3		C2O2		CO
203 C15H9N	C5H5O4	C4H2O4	C4H5O3	C4H3O3	C3H2O3	C3H3O2	C2H2O2	C2H3O	CH3
189 C15H9	C5H5NO4	C4H2NO4	C4H5NO3	C4H3NO3	C3H2NO3	C3H3NO2	C2H2NO2	C2H3NO	CH3N	N
177 C14H9	C6H5NO4	C5H2NO4	C5H5NO3	C5H3NO3	C4H2NO3	C4H3NO2	C3H2NO2	C3H3NO	C2H3N	CN	C
176 C14H8	C6H6NO4	C5H3NO4	C5H6NO3	C5H4NO3	C4H3NO3	C4H4NO2	C3H3NO2	C3H4NO	C2H4N	CHN	CH	H
163 C9H9NO2	C11H5O2	C10H2O2	C10H5O	C10H3O	C9H2O	C9H3	C8H2
75 C3H7O2	C17H7NO2	C16H4NO2	C16H7NO	C16H5NO	C15H4NO	C15H5N	C14H4N							C6H2N

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