Ojima:KOX00306p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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TRH

IDs and Links
MassBank	TRH
CAS	24305-27-9
Keio ID	G117+

Top 10 Similar Molecules of TRH

Ranking	About scoring
G117+ Score:61.76 P105+ Score:8.93 O005+ Score:8.93 O003+ Score:8.93 C013+ Score:8.93 A032+ Score:8.93 G046+ Score:8.16 D061+ Score:8.16 D038+ Score:8.16 L016+ Score:8.16	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 C16H23N6O4:   G117+   Pages Related to Peak C12H15N4O3:   G117+   Pages Related to Peak C11H13N4O3:   G117+   Pages Related to Peak C10H13N4O2:   G117+   Pages Related to Peak C10H10N3O2:   G117+  P191+   Pages Related to Peak C9H10N3O:   G117+   Pages Related to Peak C5H11N2O:   A032+  C013+  D173+  G117+  O003+  O005+  P105+  A155+   Pages Related to Peak C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+   Pages Related to Peak C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

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。

KOX00306p	363 C16H23N6O4	263 C12H15N4O3	249 C11H13N4O3	221 C10H13N4O2	204 C10H10N3O2	176 C9H10N3O	115 C5H11N2O	110 C5H8N3	84 C4H6NO	70 C4H8N	57 C4H9
363 C16H23N6O4
263 C12H15N4O3	C4H8N2O
249 C11H13N4O3	C5H10N2O	CH2
221 C10H13N4O2	C6H10N2O2	C2H2O	CO
204 C10H10N3O2	C6H13N3O2	C2H5NO	CH3NO	H3N
176 C9H10N3O	C7H13N3O3	C3H5NO2	C2H3NO2	CH3NO	CO
115 C5H11N2O	C11H12N4O3	C7H4N2O2	C6H2N2O2	C5H2N2O
110 C5H8N3	C11H15N3O4	C7H7NO3	C6H5NO3	C5H5NO2	C5H2O2	C4H2O
84 C4H6NO	C12H17N5O3	C8H9N3O2	C7H7N3O2	C6H7N3O	C6H4N2O	C5H4N2	CH5N
70 C4H8N	C12H15N5O4	C8H7N3O3	C7H5N3O3	C6H5N3O2	C6H2N2O2	C5H2N2O	CH3NO	CN2
57 C4H9	C12H14N6O4	C8H6N4O3	C7H4N4O3	C6H4N4O2	C6HN3O2	C5HN3O	CH2N2O

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