Ojima:KOX00551n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ranitidine

IDs and Links
MassBank	Ranitidine
CAS
Keio ID	R041-

Top 10 Similar Molecules of Ranitidine

Ranking	About scoring
R041+ Score:6.64 X012+ Score:3.86 V020+ Score:3.86 M110+ Score:3.86 M051+ Score:3.86 M032+ Score:3.86 M030+ Score:3.86 I063+ Score:3.86 G039+ Score:3.86 D183+ Score:3.86	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 C8H12NOS:   R041+   Pages Related to Peak C2H3N2:   A071+  A133+  A136+  A237+  C034+  C208+  E015+  G015+  G032+  H014+  H073+  M035+  M042+  M043+  M074+  M104+  O009+  Z002+  A104+  A225+  B026+  D082+  D183+  G039+  I063+  M030+  M032+  M051+  M110+  V020+  X012+

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。

KOX00551n	311 C13H19N4O3S	213 C10H17N2OS	170 C8H12NOS	142 C5H8N3O2	116 C3H6N3O2	112 C5H4OS	60 C2H4S	55 C2H3N2
311 C13H19N4O3S
213 C10H17N2OS	C3H2N2O2
170 C8H12NOS	C5H7N3O2	C2H5N
142 C5H8N3O2	C8H11NOS
116 C3H6N3O2	C10H13NOS			C2H2
112 C5H4OS	C8H15N4O2	C5H13N2	C3H8N
60 C2H4S	C11H15N4O3	C8H13N2O	C6H8NO			C3O
55 C2H3N2	C11H16N2O3S	C8H14OS		C3H5NO2	CH3NO2

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