Ojima:KOX00509n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pyridoxine

IDs and Links
MassBank	Pyridoxine
CAS	65-23-6
Keio ID	P053-

Top 10 Similar Molecules of Pyridoxine

Ranking	About scoring
P014+ Score:17.71 K004+ Score:10.03 S016+ Score:9.34 S079+ Score:9.34 A220+ Score:9.34 B009+ Score:8.58 T060+ Score:6.84 P079+ Score:6.84 P056+ Score:6.84 P047+ Score:6.84	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 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 C6H6NO:   A220+  B093+  S079+  G021+  S016+   Pages Related to Peak C6H6N:   A010+  A042+  A043+  A220+  B007+  B072+  D166+  E012+  G101+  I019+  N012+  S079+  U011+  A068+  A114+  B011+  C170+  D032+  D044+  H050+  K004+  M063+  M066+  P035+  P036+  P047+  P056+  P079+  P183+  P190+  S016+  T028+  T060+   Pages Related to Peak C4H3:   A010+  A043+  A050+  A130+  B007+  D046+  D166+  E012+  E033+  H015+  H029+  H139+  I019+  I022+  I030+  I038+  M127+  N004+  N018+  P002+  P033+  P053+  P059+  T002+  X004+  A036+  A054+  A061+  A224+  B004+  B009+  B011+  B013+  C089+  C172+  D032+  D087+  D178+  D180+  E013+  F013+  G041+  H021+  H112+  I017+  I051+  I067+  M063+  M066+  M071+  M101+  M167+  M172+  N001+  N016+  N028+  P041+  P045+  P047+  P056+  P057+  P079+  P099+  Q001+  Q008+  S041+  S058+  T008+  T031+  T060+  D030+  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。

KOX00509n	168 C8H10NO3	150 C8H8NO2	122 C7H8NO	121 C7H7NO	108 C6H6NO	92 C6H6N	79 C5H3O	51 C4H3
168 C8H10NO3
150 C8H8NO2	H2O
122 C7H8NO	CH2O2	CO
121 C7H7NO	CH3O2	CHO	H
108 C6H6NO	C2H4O2	C2H2O	CH2	CH
92 C6H6N	C2H4O3	C2H2O2	CH2O	CHO	O
79 C5H3O	C3H7NO2	C3H5NO	C2H5N	C2H4N	CH3N
51 C4H3	C4H7NO3	C4H5NO2	C3H5NO	C3H4NO	C2H3NO	C2H3N	CO

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