Ojima:KOX00661p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Amifostine

IDs and Links
MassBank	Amifostine
CAS	20537-88-6
Keio ID	A170+

Top 10 Similar Molecules of Amifostine

Ranking	About scoring
A170+ Score:32.32 S011+ Score:7.68 S003+ Score:7.68 A112+ Score:7.68 A111+ Score:7.68 A069+ Score:7.68 H064+ Score:7.68 E056+ Score:6.23 T058+ Score:5.13 D067+ Score:5.13	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 C5H16N2O3PS:   A170+   Pages Related to Peak C5H15N2S:   A170+   Pages Related to Peak C5H12NS:   A170+  E056+   Pages Related to Peak C5H10N:   A050+  A127+  A174+  H064+  H073+  L004+  M035+  M159+  P048+  A068+  A069+  A111+  A112+  A143+  A170+  C043+  K004+  L027+  N016+  S003+  S011+  S044+  T122+  D030+   Pages Related to Peak C2H5S:   A059+  A065+  C208+  F034+  M003+  A170+  D067+  T058+   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。

KOX00661p	215 C5H16N2O3PS	135 C5H15N2S	118 C5H12NS	84 C5H10N	61 C2H5S	58 C3H8N
215 C5H16N2O3PS
135 C5H15N2S	HO3P
118 C5H12NS	H4NO3P	H3N
84 C5H10N	H6NO3PS	H5NS	H2S
61 C2H5S	C3H11N2O3P	C3H10N2	C3H7N
58 C3H8N	C2H8NO3PS	C2H7NS	C2H4S	C2H2

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