Ojima:PR100275p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pyridoxal

IDs and Links
MassBank	Pyridoxal
CAS	66-72-8
Keio ID

Top 10 Similar Molecules of Pyridoxal

Ranking	About scoring
P014+ Score:28.91 A068+ Score:11.19 K004+ Score:9.89 A122+ Score:9.4 S044+ Score:9.2 B009+ Score:9.2 M037+ Score:9.2 N044+ Score:7.73 N016+ Score:7.73 M172+ Score:7.73	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 C8H10NO3:   A122+  A191+  P014+   Pages Related to Peak C8H8NO2:   P014+  K004+   Pages Related to Peak C7H8NO:   M037+  P014+  B009+  B026+  S044+   Pages Related to Peak C7H8N:   E012+  I050+  M040+  M053+  M127+  P014+  P053+  P113+  T054+  A035+  A036+  A068+  D032+  D178+  D180+  M101+  M103+  M111+  M172+  N016+  P061+  P206+  S041+  T031+  N044+   Pages Related to Peak C6H8N:   A010+  A043+  A130+  A220+  C040+  D166+  E033+  G101+  H027+  H029+  H139+  M037+  P014+  P053+  A054+  A068+  A069+  A123+  B009+  B011+  C172+  D032+  D039+  D087+  D180+  K004+  K005+  M063+  M111+  M150+  M172+  N016+  N063+  P079+  S044+  T060+  T122+  N044+   Pages Related to Peak C5H7:   A018+  A050+  A053+  A122+  A127+  A174+  B020+  C119+  D055+  G062+  G065+  H064+  H073+  L004+  M035+  N014+  P014+  P032+  P048+  P055+  Z002+  A061+  A068+  A080+  A170+  C032+  C043+  C114+  D075+  D078+  F016+  G021+  H045+  I063+  K005+  L027+  L031+  M033+  M039+  M169+  O007+  P034+  P054+  S040+  T024+  T061+  V021+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00491

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。

PR100275p	168 C8H10NO3	150 C8H8NO2	122 C7H8NO	106 C7H8N	94 C6H8N	67 C5H7
168 C8H10NO3
150 C8H8NO2	H2O
122 C7H8NO	CH2O2	CO
106 C7H8N	CH2O3	CO2	O
94 C6H8N	C2H2O3	C2O2	CO	C
67 C5H7	C3H3NO3	C3HNO2	C2HNO	C2HN	CHN

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