Ojima:KO008889p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

[show] Ranking	About scoring
B026+ Score:56.81 A226+ Score:11.95 P032+ Score:5.94 O009+ Score:5.94 P061+ Score:5.72 E007+ Score:5.72 A143+ Score:5.72 A103+ Score:5.72 B018+ 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。

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[show] Page list for each fragment

Pages Related to Peak C15H23N4O3:   B026+   Pages Related to Peak C15H20N3O3:   A226+  B026+   Pages Related to Peak C14H18NO3:   B026+   Pages Related to Peak C14H19N2O2:   B026+   Pages Related to Peak C12H15N2O2:   A226+  B026+  E007+  P061+   Pages Related to Peak C12H13N2O:   B026+   Pages Related to Peak C8H15N2O3:   B026+   Pages Related to Peak C7H14NO2:   B018+  A103+  A143+  B026+   Pages Related to Peak C7H12NO2:   O009+  P032+  B026+

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Precursor-Product Relationship

[show] 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。

[hide] KO008889p	307 C15H23N4O3	290 C15H20N3O3	273 C15H17N2O3	248 C14H18NO3	247 C14H19N2O2	219 C12H15N2O2	201 C12H13N2O	187 C8H15N2O3	144 C7H14NO2	142 C7H12NO2
307 C15H23N4O3
290 C15H20N3O3	H3N
273 C15H17N2O3	H6N2	H3N
248 C14H18NO3	CH5N3	CH2N2
247 C14H19N2O2	CH4N2O	CHNO
219 C12H15N2O2	C3H8N2O	C3H5NO	C3H2O		C2H4
201 C12H13N2O	C3H10N2O2	C3H7NO2	C3H4O2		C2H6O	H2O
187 C8H15N2O3	C7H8N2	C7H5N	C7H2
144 C7H14NO2	C8H9N3O	C8H6N2O	C8H3NO	C7H4O	C7H5N	C5HN		CHNO
142 C7H12NO2	C8H11N3O	C8H8N2O	C8H5NO	C7H6O	C7H7N	C5H3N		CH3NO	H2

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