Ojima:KNA00122p

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:13.28 G008+ Score:4.84 G006+ Score:4.84 P092+ Score:4.84 O008+ Score:4.84 G043+ Score:4.84 G019+ Score:4.84 G018+ Score:4.84 G005+ Score:4.84 F034+ Score:4.84	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 C8H13N2O4S:   L016+   Pages Related to Peak C5H8NO3:   A031+  E005+  F034+  G005+  G018+  G019+  G043+  O008+  P092+  G006+  G008+   Pages Related to Peak C4H6NOS:   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_TP7LPR:33: attempt to compare number with nil

KNA00122p	308 C10H18N3O6S	290 C10H16N3O5S	233 C8H13N2O4S	179 C5H11N2O3S	160 C5H6NO3S	130 C5H8NO3	116 C4H6NOS	48 144
308 C10H18N3O6S
290 C10H16N3O5S	H2O
233 C8H13N2O4S	C2H5NO2	C2H3NO
179 C5H11N2O3S	C5H7NO3	C5H5NO2	C3H2O
160 C5H6NO3S	C5H12N2O3	C5H10N2O2	C3H7NO	H5N
130 C5H8NO3	C5H10N2O3S	C5H8N2O2S	C3H5NOS	H3NS
116 C4H6NOS	C6H12N2O5	C6H10N2O4	C4H7NO3	CH5NO2	CO2
48 144 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)