Ojima:PBX00047p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Camalexin

IDs and Links
MassBank	Camalexin
CAS
Keio ID

Top 10 Similar Molecules of Camalexin

Ranking	About scoring
A035+ Score:16.7 N044+ Score:15.13 T031+ Score:15.13 S041+ Score:15.13 N016+ Score:15.13 M101+ Score:15.13 T054+ Score:15.13 T003+ Score:15.13 M078+ Score:15.13 M040+ Score:15.13	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 C11H8N2:   H029+   Pages Related to Peak C9H7N2:   N067+  T028+   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 C8H6N:   M127+  A035+  A036+  A123+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  S041+  T031+  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+   Pages Related to Peak C2H3S:   C127+  M013+  M126+

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。

PBX00047p	201 C11H9N2S	174 C10H8NS	168 C11H8N2	160 C9H6NS	143 C9H7N2	142 C9H6N2	130 C9H8N	117 C8H7N	116 C8H6N	89 C7H5	77 C6H5	59 C2H3S	58 C2H2S
201 C11H9N2S
174 C10H8NS	CHN
168 C11H8N2	HS
160 C9H6NS	C2H3N	CH2
143 C9H7N2	C2H2S		C2H
142 C9H6N2	C2H3S		C2H2		H
130 C9H8N	C2HNS	CS	C2N
117 C8H7N	C3H2NS	C2HS	C3HN		CN		CH
116 C8H6N	C3H3NS	C2H2S	C3H2N	CS	CHN	CN	CH2	H
89 C7H5	C4H4N2S	C3H3NS	C4H3N2	C2HNS	C2H2N2	C2HN2	C2H3N	CH2N	CHN
77 C6H5	C5H4N2S	C4H3NS	C5H3N2	C3HNS	C3H2N2	C3HN2	C3H3N	C2H2N	C2HN	C
59 C2H3S	C9H6N2	C8H5N		C7H3N
58 C2H2S	C9H7N2	C8H6N		C7H4N								H

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