Ojima:KO009024p

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
L016+ 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 C13H22N3O8S:   L016+   Pages Related to Peak C11H17N2O6S:   L016+   Pages Related to Peak C8H15N2O5S:   L016+   Pages Related to Peak C8H13N2O4S:   L016+   Pages Related to Peak C6H10NO3S:   L016+   Pages Related to Peak C5H10NO2S:   L016+   Pages Related to Peak C5H8NOS:   L016+

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_Nzm3KF:33: attempt to compare number with nil Illegal ion order (check mass!): H169 < C5H10NO2S

KO009024p	380 C13H22N3O8S	305 C11H17N2O6S	251 C8H15N2O5S	233 C8H13N2O4S	176 C6H10NO3S	16 H169	148 C5H10NO2S	130 C5H8NOS
380 C13H22N3O8S
305 C11H17N2O6S	C2H5NO2
251 C8H15N2O5S	C5H7NO3	C3H2O
233 C8H13N2O4S	C5H9NO4	C3H4O2	H2O
176 C6H10NO3S	C7H12N2O5	C5H7NO3	C2H5NO2	C2H3NO
16 H169 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)