Ojima:KOX00405n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Met

IDs and Links
MassBank	Met
CAS	63-68-3
Keio ID	M003-

Top 10 Similar Molecules of Met

Ranking	About scoring
T058+ Score:6.63 L016+ Score:6.63 D173+ Score:6.63 M126+ Score:6.23 C047+ Score:6.23 B090+ Score:5.94 A224+ Score:5.94 F008+ Score:5.94	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 C5H10NO2S:   L016+   Pages Related to Peak C4H6NO2:   D173+   Pages Related to Peak C3H6NS:   C047+  M126+   Pages Related to Peak C4H7O:   F008+  A224+  B090+   Pages Related to Peak CH3S:   T058+

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。

KOX00405n	148 C5H10NO2S	100 C4H6NO2	88 C3H6NS	87 C3H5NS	71 C4H7O	59 C2H3O2	47 CH3S
148 C5H10NO2S
100 C4H6NO2	CH4S
88 C3H6NS	C2H4O2
87 C3H5NS	C2H5O2		H
71 C4H7O	CH3NOS
59 C2H3O2	C3H7NS	C2H3N
47 CH3S	C4H7NO2		C2H3N	C2H2N

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)