Ojima:KOX00331n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Hydroxyoctanoate

IDs and Links
MassBank	2-Hydroxyoctanoate
CAS	617-73-2
Keio ID	H035-

Top 10 Similar Molecules of 2-Hydroxyoctanoate

Ranking	About scoring
M169+ Score:4.76 A052+ Score:4.76 P092+ Score:4.76 O008+ Score:4.76 I025+ Score:4.76 G062+ Score:4.76 G015+ Score:4.76 D173+ Score:4.76 C127+ Score:4.76 C015+ Score:4.76	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。

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Page list for each fragment
Pages Related to Peak C3H3O:   A110+  A138+  C015+  C127+  D173+  G015+  G062+  I025+  O008+  P092+  A052+  M169+

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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。

KOX00331n	159 C8H15O3	113 C7H13O	69 C3HO2	55 C3H3O	45 CHO2
159 C8H15O3
113 C7H13O	CH2O2
69 C3HO2	C5H14O
55 C3H3O	C5H12O2	C4H10
45 CHO2	C7H14O		C2

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