Ojima:KO009094p

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

Ranking	About scoring
B093+ Score:46.46	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 C17H21N2O5S:   B093+   Pages Related to Peak C17H18NO5S:   B093+   Pages Related to Peak C13H10NO5S:   B093+   Pages Related to Peak C17H18NO3:   B093+   Pages Related to Peak C17H16NO2:   B093+   Pages Related to Peak C16H18NO:   B093+   Pages Related to Peak C12H10NO:   B093+

Annotations

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。

./lua: /tmp/mw_ex_lua_rzBykw:33: attempt to compare number with nil Illegal ion order (check mass!): H212 < C12H10NO

KO009094p	365 C17H21N2O5S	348 C17H18NO5S	292 C13H10NO5S	284 C17H18NO3	266 C17H16NO2	240 C16H18NO	21 H212	184 C12H10NO
365 C17H21N2O5S
348 C17H18NO5S	H3N
292 C13H10NO5S	C4H11N	C4H8
284 C17H18NO3	H3NO2S	O2S
266 C17H16NO2	H5NO3S	H2O3S		H2O
240 C16H18NO	CH3NO4S	CO4S		CO2
21 H212 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)