Ojima:KOX00709p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Desthiobiotin

IDs and Links
MassBank	Desthiobiotin
CAS	533-48-2
Keio ID	D075+

Top 10 Similar Molecules of Desthiobiotin

Ranking	About scoring
D075+ Score:49.78 T051+ Score:15.05 T061+ Score:14.82 T024+ Score:12.16 I063+ Score:12.16 I011+ Score:9.51 C220+ Score:9.1 B047+ Score:9.1 B044+ Score:9.1 P192+ Score:8.7	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 C10H19N2O3:   D075+   Pages Related to Peak C10H17N2O2:   D075+   Pages Related to Peak C10H15N2O:   D075+   Pages Related to Peak C8H14NO:   D075+  T061+   Pages Related to Peak C6H12N:   O009+  B040+  D075+  I063+  O016+  P192+  T024+  T061+   Pages Related to Peak C3H10NO:   D075+  I011+  T051+   Pages Related to Peak C5H7:   A018+  A050+  A053+  A122+  A127+  A174+  B020+  C119+  D055+  G062+  G065+  H064+  H073+  L004+  M035+  N014+  P014+  P032+  P048+  P055+  Z002+  A061+  A068+  A080+  A170+  C032+  C043+  C114+  D075+  D078+  F016+  G021+  H045+  I063+  K005+  L027+  L031+  M033+  M039+  M169+  O007+  P034+  P054+  S040+  T024+  T061+  V021+   Pages Related to Peak C3H9N:   B044+  B047+  C220+  D075+  T051+   Pages Related to Peak C3H8N:   A048+  A087+  A240+  B072+  D131+  H048+  H064+  I008+  N009+  A052+  A060+  A069+  A111+  A112+  A170+  A224+  B040+  B044+  B047+  B090+  C032+  C041+  C044+  C220+  D035+  D036+  D075+  H004+  H112+  I011+  I063+  L034+  M099+  M103+  P074+  P192+  S003+  S011+  T024+  T051+  V021+  H024+

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。

KOX00709p	215 C10H19N2O3	197 C10H17N2O2	179 C10H15N2O	140 C8H14NO	98 C6H12N	76 C3H10NO	67 C5H7	59 C3H9N	58 C3H8N
215 C10H19N2O3
197 C10H17N2O2	H2O
179 C10H15N2O	H4O2	H2O
140 C8H14NO	C2H5NO2	C2H3NO	C2HN
98 C6H12N	C4H7NO3	C4H5NO2	C4H3NO	C2H2O
76 C3H10NO	C7H9NO2	C7H7NO	C7H5N	C5H4
67 C5H7	C5H12N2O3	C5H10N2O2	C5H8N2O	C3H7NO	CH5N
59 C3H9N	C7H10NO3	C7H8NO2	C7H6NO	C5H5O	C3H3	HO
58 C3H8N	C7H11NO3	C7H9NO2	C7H7NO	C5H6O	C3H4	H2O		H

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