Ojima:PR100289p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-beta-homotyrosine

IDs and Links
MassBank	L-beta-homotyrosine
CAS
Keio ID

Top 10 Similar Molecules of L-beta-homotyrosine

Ranking	About scoring
T032+ Score:25.95 V021+ Score:15.04 M169+ Score:14.26 M167+ Score:13.75 A226+ Score:13.08 T002+ Score:13.08 L007+ Score:9.81 T041+ Score:9.32 B018+ Score:8.99 K004+ Score:8.52	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 C10H14NO3:   T032+   Pages Related to Peak C10H11O3:   M169+  T032+   Pages Related to Peak C8H10NO:   A130+  L007+  T002+  A226+  C043+  K004+  T032+   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 C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  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+

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。

PR100289p	196 C10H14NO3	179 C10H11O3	161 C10H9O2	136 C8H10NO	133 C9H9O	119 C8H7O	105 C8H9	91 C7H7
196 C10H14NO3
179 C10H11O3	H3N
161 C10H9O2	H5NO	H2O
136 C8H10NO	C2H4O2
133 C9H9O	CH5NO2	CH2O2	CO
119 C8H7O	C2H7NO2	C2H4O2	C2H2O	H3N	CH2
105 C8H9	C2H5NO3	C2H2O3	C2O2	HNO	CO
91 C7H7	C3H7NO3	C3H4O3	C3H2O2	CH3NO	C2H2O	CO	CH2

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