MassBank:KOX00661p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Amifostine

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

Top 10 Similar Molecules of Amifostine

Ranking	About scoring
KOX00069p Score:14.26 KOX00343p Score:11.22 KOX00699p Score:9.82 KOX00679p Score:9.82 KOX00862p Score:7.74 KOX00861p Score:7.74 KOX00655p Score:7.74 KOX00654p Score:7.74 KOX00648p Score:7.74 KOX00769p Score:7.63	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

Annotations

Precursor	Product	Comments
C5H16N2O3PS (215)	C5H13NO3PS (198)	b
C5H16N2O3PS (215)	C5H15N2S (135)	c
C5H16N2O3PS (215)	C5H13N2 (101)	a
C5H16N2O3PS (215)	C3H11N2 (75)	e
C5H16N2O3PS (215)	C3H8N (58)	e,-NH3

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	198 C5H13NO3PS	135 C5H15N2S	118 C5H12NS	101 C5H13N2	84 C5H10N	75 C3H11N2	67 C5H7	61 C2H5S	58 C3H8N
215 C5H16N2O3PS
198 C5H13NO3PS	H3N
135 C5H15N2S	HO3P
118 C5H12NS	H4NO3P	HO3P	H3N
101 C5H13N2	H3O3PS		H2S
84 C5H10N	H6NO3PS	H3O3PS	H5NS	H2S	H3N
75 C3H11N2	C2H5O3PS		C2H4S		C2H2
67 C5H7	H9N2O3PS	H6NO3PS	H8N2S	H5NS	H6N2	H3N
61 C2H5S	C3H11N2O3P	C3H8NO3P	C3H10N2	C3H7N
58 C3H8N	C2H8NO3PS	C2H5O3PS	C2H7NS	C2H4S	C2H5N	C2H2	H3N

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

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