Ojima:PR100470p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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all-trans-Retinoic Acid

IDs and Links
MassBank	all-trans-Retinoic Acid
CAS	302-79-4
Keio ID

Top 10 Similar Molecules of all-trans-Retinoic Acid

Ranking	About scoring
G075+ Score:25.74 D039+ Score:14.27 M169+ Score:8.03 M167+ Score:8.03 F016+ Score:8.03 S013+ Score:8.03 D078+ Score:6.23 A197+ Score:6.23 T065+ Score:6.23 V021+ Score:4.76	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 C12H15:   G075+   Pages Related to Peak C11H13:   T065+  A197+   Pages Related to Peak C10H13:   G075+  D039+   Pages Related to Peak C9H15:   G075+  D078+   Pages Related to Peak C9H11:   G075+   Pages Related to Peak C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  V021+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+

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。

PR100470p	301 C20H29O2	201 C15H21	159 C12H15	145 C11H13	133 C10H13	131 C10H11	123 C9H15	119 C9H11	105 C8H9	91 C7H7
301 C20H29O2
201 C15H21	C5H8O2
159 C12H15	C8H14O2	C3H6
145 C11H13	C9H16O2	C4H8	CH2
133 C10H13	C10H16O2	C5H8	C2H2	C
131 C10H11	C10H18O2	C5H10	C2H4	CH2	H2
123 C9H15	C11H14O2	C6H6	C3
119 C9H11	C11H18O2	C6H10	C3H4	C2H2	CH2	C	H4
105 C8H9	C12H20O2	C7H12	C4H6	C3H4	C2H4	C2H2	CH6	CH2
91 C7H7	C13H22O2	C8H14	C5H8	C4H6	C3H6	C3H4	C2H8	C2H4	CH2

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