MassBank:KOX00700p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

N,N-Dimethylglycine

IDs and Links
MassBank	N,N-Dimethylglycine
CAS	1118-68-9
Keio ID	D036+

Top 10 Similar Molecules of N,N-Dimethylglycine

[show] Ranking	About scoring
KOX00875p Score:11.96 KOX00364p Score:11.96 KOX00908p Score:8.97 KOX00113p Score:8.97 KOX00059p Score:8.97 KOX00039p Score:8.97 KOX00887p Score:8.37 KOX00803p Score:8.37 KOX00662p Score:8.37 KOX00276p Score:8.37	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
C4H10NO2 (104)	C3H8N (58)	a
C4H10NO2 (104)	C3H7N (57)	a,rad.
C4H10NO2 (104)	C3H6N (56)	a

Precursor-Product Relationship

[show] 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。

[hide] KOX00700p	104 C4H10NO2	58 C3H8N	57 C3H7N	56 C3H6N
104 C4H10NO2
58 C3H8N	CH2O2
57 C3H7N	CH3O2	H
56 C3H6N	CH4O2	H2	H

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

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