Ojima:KOX00698p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Diethanolamine

IDs and Links
MassBank	Diethanolamine
CAS	111-42-2
Keio ID	D033+

Top 10 Similar Molecules of Diethanolamine

Ranking	About scoring
T022+ Score:15.28 D033+ Score:15.28 A224+ Score:11.48 E023+ Score:11.25 S014+ Score:10.74 A032+ Score:9.34 T021+ Score:8.83 C044+ Score:6.23 T051+ Score:5.72 S011+ Score:5.72	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 C4H12NO2:   A224+  D033+  T022+   Pages Related to Peak C4H10NO:   A032+  A224+  B090+  D033+  T022+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+   Pages Related to Peak C2H5O:   C044+  E023+   Pages Related to Peak C2H6N:   A011+  A015+  S014+  T004+  E023+  M034+  T021+  T030+  A155+   Pages Related to Peak C2H4N:   S014+  I046+  S011+  T051+

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。

KOX00698p	106 C4H12NO2	88 C4H10NO	70 C4H8N	45 C2H5O	44 C2H6N	42 C2H4N
106 C4H12NO2
88 C4H10NO	H2O
70 C4H8N	H4O2	H2O
45 C2H5O	C2H7NO	C2H5N
44 C2H6N	C2H6O2	C2H4O	C2H2
42 C2H4N	C2H8O2	C2H6O	C2H4		H2

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

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