Ojima:KO008844p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

[show] Ranking	About scoring
A039+ Score:39.43 D055+ Score:6.23	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 C10H19N4O6:   A039+   Pages Related to Peak C10H17N4O5:   A039+   Pages Related to Peak C9H16N3O5:   A039+   Pages Related to Peak C9H14N3O4:   A039+  D055+   Pages Related to Peak C5H10N3O4:   A039+   Pages Related to Peak C5H7N2O4:   A039+

Annotations

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。

./lua: /tmp/mw_ex_lua_e6vwO5:33: attempt to compare number with nil

[hide] KO008844p	291 C10H19N4O6	273 C10H17N4O5	246 C9H16N3O5	228 C9H14N3O4	176 C5H10N3O4	159 C5H7N2O4	158 C5H8N3O3	13 H133	11 H116	11 H115
291 C10H19N4O6
273 C10H17N4O5	H2O
246 C9H16N3O5	CH3NO	CHN
228 C9H14N3O4	CH5NO2	CH3NO	H2O
176 C5H10N3O4	C5H9NO2	C5H7NO	C4H6O	C4H4
159 C5H7N2O4	C5H12N2O2	C5H10N2O	C4H9NO	C4H7N	H3N
158 C5H8N3O3	C5H11NO3	C5H9NO2	C4H8O2	C4H6O	H2O
13 H133 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)