Ojima:KOX00353n

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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2-Hydroxy-4-methylpentanoate

IDs and Links
MassBank	2-Hydroxy-4-methylpentanoate
CAS	20312-37-2
Keio ID	H091-

Top 10 Similar Molecules of 2-Hydroxy-4-methylpentanoate

Ranking	About scoring
M115+ Score:6.63 H073+ Score:6.63 U006+ Score:3.8 P081+ Score:3.8 M110+ Score:3.8 M082+ Score:3.8 M081+ Score:3.8 M024+ Score:3.8 M011+ Score:3.8 G051+ Score:3.8	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 C5H9O:   H073+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+   Pages Related to Peak C4H3O:   M115+

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。

KOX00353n	131 C6H11O3	85 C5H9O	69 C4H5O	67 C4H3O	45 CHO2
131 C6H11O3
85 C5H9O	CH2O2
69 C4H5O	C2H6O2	CH4
67 C4H3O	C2H8O2	CH6	H2
45 CHO2	C5H10O

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