Ojima:KOX00367n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isoguvacine

IDs and Links
MassBank	Isoguvacine
CAS	3038-89-9
Keio ID	I015-

Top 10 Similar Molecules of Isoguvacine

Ranking	About scoring
S041+ Score:7.9 P079+ Score:7.9 C047+ Score:7.9 A114+ Score:7.9 E008+ Score:7.81 N016+ Score:7.31 D067+ Score:5.25 A020+ Score:5.25 P075+ Score:5.25 O015+ Score:5.25	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 C6H8NO2:   A122+  A191+  E011+  G065+  E008+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C5H5O2:   A007+  A133+  G020+  O015+  P075+  A020+  D067+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+   Pages Related to Peak C5H8N:   A135+  A140+  H064+  P067+  A069+  A080+  A197+  C043+  H045+  M024+  N016+  P054+  S040+  T024+  T061+  D030+  M022+   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 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。

KOX00367n	126 C6H8NO2	97 C5H5O2	93 C6H5O	82 C5H8N	65 C5H5	59 C2H3O2	45 CHO2
126 C6H8NO2
97 C5H5O2	CH3N
93 C6H5O	H3NO
82 C5H8N	CO2
65 C5H5	CH3NO2	O2	CO	H3N
59 C2H3O2	C4H5N	C3H2
45 CHO2	C5H7N	C4H4				CH2

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