Ojima:PBX00068p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Hydroxytryptophan

IDs and Links
MassBank	5-Hydroxytryptophan
CAS
Keio ID

Top 10 Similar Molecules of 5-Hydroxytryptophan

Ranking	About scoring
H050+ Score:11.66 M167+ Score:11.65 E007+ Score:9.5 Q001+ Score:8.19 K004+ Score:8.19 T003+ Score:8.19 H139+ Score:8.19 S058+ Score:7.68 N028+ Score:7.68 P113+ Score:7.68	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 C11H10NO3:   B019+   Pages Related to Peak C9H8NO2:   H050+   Pages Related to Peak C9H8NO:   H139+  T003+  E007+  K004+  Q001+   Pages Related to Peak C8H8NO:   D056+  I050+  M127+  P053+  P113+  H050+  M167+  N028+  S058+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   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。

PBX00068p	221 C11H13N2O3	204 C11H10NO3	162 C9H8NO2	146 C9H8NO	134 C8H8NO	103 C8H7	77 C6H5
221 C11H13N2O3
204 C11H10NO3	H3N
162 C9H8NO2	C2H5NO	C2H2O
146 C9H8NO	C2H5NO2	C2H2O2	O
134 C8H8NO	C3H5NO2	C3H2O2	CO	C
103 C8H7	C3H6N2O3	C3H3NO3	CHNO2	CHNO	HNO
77 C6H5	C5H8N2O3	C5H5NO3	C3H3NO2	C3H3NO	C2H3NO	C2H2

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