Ojima:KOX00445p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Methoxy-3-indoleaceate

IDs and Links
MassBank	5-Methoxy-3-indoleaceate
CAS
Keio ID	M078+

Top 10 Similar Molecules of 5-Methoxy-3-indoleaceate

Ranking	About scoring
M078+ Score:44.97 N016+ Score:20.73 I022+ Score:20.73 S041+ Score:16.99 N044+ Score:16.77 T031+ Score:15.01 M101+ Score:15.01 T054+ Score:15.01 M040+ Score:15.01 I038+ Score:15.01	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 C11H12NO3:   M078+  A137+  P070+   Pages Related to Peak C10H10NO:   M078+  E007+  S041+   Pages Related to Peak C9H7NO:   M078+   Pages Related to Peak C9H9O:   B018+  M078+  M167+  V021+   Pages Related to Peak C9H8N:   E034+  H027+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A068+  G041+  I067+  M101+  M103+  M172+  N016+  Q008+  S041+  T031+  N044+   Pages Related to Peak C8H7N:   H027+  H139+  I022+  I025+  I030+  I038+  M040+  M078+  T003+  T054+  A035+  A068+  E007+  M101+  M103+  M172+  N016+  P057+  S041+  T031+  N044+   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 C7H6:   I022+  M078+  N016+  N044+   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。

KOX00445p	206 C11H12NO3	160 C10H10NO	145 C9H7NO	133 C9H9O	130 C9H8N	117 C8H7N	103 C8H7	90 C7H6	77 C6H5
206 C11H12NO3
160 C10H10NO	CH2O2
145 C9H7NO	C2H5O2	CH3
133 C9H9O	C2H3NO2	CHN
130 C9H8N	C2H4O3	CH2O
117 C8H7N	C3H5O3	C2H3O	CO		CH
103 C8H7	C3H5NO3	C2H3NO	CNO	CH2O	CHN	N
90 C7H6	C4H6NO3	C3H4NO	C2HNO	C2H3O	C2H2N	CHN	CH
77 C6H5	C5H7NO3	C4H5NO	C3H2NO	C3H4O	C3H3N	C2H2N	C2H2	CH

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