Ojima:PR100418p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Pyridoxate

IDs and Links
MassBank	4-Pyridoxate
CAS	82-82-6
Keio ID

Top 10 Similar Molecules of 4-Pyridoxate

Ranking	About scoring
P079+ Score:40.43 H050+ Score:24.68 T060+ Score:21.61 I019+ Score:17.53 B011+ Score:16.23 A043+ Score:16.23 A010+ Score:16.23 A114+ Score:12.06 P190+ Score:11.3 K004+ Score:11.3	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 C8H10NO4:   P079+   Pages Related to Peak C8H8NO3:   H050+  P079+  T044+   Pages Related to Peak C8H6NO2:   I019+  P079+   Pages Related to Peak C7H8NO2:   A010+  A043+  A122+  A191+  P014+  B011+  H050+  P079+  P191+  T060+   Pages Related to Peak C7H6NO:   A010+  A043+  B072+  I019+  I050+  X004+  B011+  H050+  K004+  P079+  P190+  P191+  P209+  T060+   Pages Related to Peak C6H8NO:   I066+  A114+  D061+  H050+  P079+  T060+   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 C5H5:   A010+  A042+  A043+  A050+  A130+  A220+  B007+  B015+  B072+  C040+  D046+  D057+  D166+  E012+  E033+  F034+  G101+  H029+  H139+  I019+  I025+  M003+  M037+  M127+  N012+  P002+  P014+  P053+  P059+  P113+  S013+  S079+  T002+  T054+  U011+  X004+  Z003+  A061+  A068+  A114+  B011+  B013+  C047+  C170+  C172+  D032+  D044+  D087+  D122+  D178+  D180+  D185+  E008+  E013+  K004+  M013+  M039+  M063+  M066+  M071+  M101+  M150+  M167+  M172+  N016+  N028+  P035+  P047+  P056+  P061+  P079+  P183+  P190+  Q001+  S016+  S041+  S058+  T008+  T028+  T030+  T031+  T032+  T044+  T060+  N044+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00840

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。

PR100418p	184 C8H10NO4	166 C8H8NO3	148 C8H6NO2	138 C7H8NO2	120 C7H6NO	110 C6H8NO	92 C6H6N	65 C5H5
184 C8H10NO4
166 C8H8NO3	H2O
148 C8H6NO2	H4O2	H2O
138 C7H8NO2	CH2O2	CO
120 C7H6NO	CH4O3	CH2O2	CO	H2O
110 C6H8NO	C2H2O3	C2O2		CO
92 C6H6N	C2H4O4	C2H2O3	C2O2	CH2O2	CO	H2O
65 C5H5	C3H5NO4	C3H3NO3	C3HNO2	C2H3NO2	C2HNO	CH3NO	CHN

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