Ojima:KOX00755p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Isopropanolamine

IDs and Links
MassBank	Isopropanolamine
CAS	2799-16-8
Keio ID	I011+

Top 10 Similar Molecules of Isopropanolamine

Ranking	About scoring
T051+ Score:21.87 I011+ Score:14.44 D075+ Score:9.51 S011+ Score:9.29 A224+ Score:8.5 A048+ Score:8.5 P042+ Score:6.23 I064+ Score:6.23 I046+ Score:5.72 S014+ 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 C3H10NO:   D075+  I011+  T051+   Pages Related to Peak C3H7O:   A048+  A135+  B018+  F025+  F034+  G061+  M127+  A224+  I011+  A155+   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+   Pages Related to Peak C2H5N:   T051+   Pages Related to Peak C2H4N:   S014+  I046+  S011+  T051+   Pages Related to Peak C3H5:   I064+  P042+

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。

KOX00755p	76 C3H10NO	59 C3H7O	58 C3H8N	43 C2H5N	42 C2H4N	41 C3H5	39 C3H3
76 C3H10NO
59 C3H7O	H3N
58 C3H8N	H2O
43 C2H5N	CH5O		CH3
42 C2H4N	CH6O		CH4	H
41 C3H5	H5NO	H2O	H3N
39 C3H3	H7NO	H4O	H5N			H2

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