Ojima:PR100003p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Hydroxy-3-methoxycinnamaldehyde

IDs and Links
MassBank	4-Hydroxy-3-methoxycinnamaldehyde
CAS	458-36-6
Keio ID

Top 10 Similar Molecules of 4-Hydroxy-3-methoxycinnamaldehyde

Ranking	About scoring
T032+ Score:27.23 T002+ Score:21 I050+ Score:17.56 M169+ Score:16.44 M167+ Score:15.93 S058+ Score:14.77 D185+ Score:14.77 E033+ Score:14.77 D046+ Score:14.77 V021+ Score:14.56	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 C10H11O3:   M169+  T032+   Pages Related to Peak C9H7O2:   T002+  T032+   Pages Related to Peak C9H6O2:   I050+   Pages Related to Peak C8H8O2:   I050+   Pages Related to Peak C9H9O:   B018+  M078+  M167+  V021+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C7H7O:   C063+  D046+  D056+  E033+  I050+  P059+  T002+  A137+  D185+  E007+  M167+  M169+  N028+  P070+  S058+  T032+  T033+  T041+  T126+  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+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+

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。

PR100003p	179 C10H11O3	161 C10H9O2	147 C9H7O2	146 C9H6O2	136 C8H8O2	133 C9H9O	119 C8H7O	107 C7H7O	91 C7H7	77 C6H5
179 C10H11O3
161 C10H9O2	H2O
147 C9H7O2	CH4O	CH2
146 C9H6O2	CH5O	CH3	H
136 C8H8O2	C2H3O	C2H
133 C9H9O	CH2O2	CO
119 C8H7O	C2H4O2	C2H2O	CO		HO	CH2
107 C7H7O	C3H4O2	C3H2O	C2O		CHO	C2H2	C
91 C7H7	C3H4O3	C3H2O2	C2O2		CHO2	C2H2O	CO	O
77 C6H5	C4H6O3	C4H4O2	C3H2O2	C3HO2	C2H3O2	C3H4O	C2H2O	CH2O	CH2

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