Ojima:COX00054p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Methionine_Enkephalin

IDs and Links
MassBank	Methionine_Enkephalin
CAS
Keio ID

Top 10 Similar Molecules of Methionine_Enkephalin

Ranking	About scoring
S041+ Score:6.23 A069+ Score:6.23 T032+ Score:5.25 K004+ Score:5.25 C043+ Score:5.25 A226+ Score:5.25 T002+ Score:5.25 L007+ Score:5.25 A130+ Score:5.25 P206+ Score:4.93	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 C10H13N2O:   A069+  S041+   Pages Related to Peak C8H10NO:   A130+  L007+  T002+  A226+  C043+  K004+  T032+   Pages Related to Peak C8H10N:   A067+  B018+  E033+  P002+  Z003+  A068+  D087+  M111+  N016+  P206+

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。

COX00054p	574 C27H36N5O7S	425 C22H25N4O5	397 C21H25N4O4	297 C14H21N2O3S	278 C13H16N3O4	221 C11H13N2O3	177 C10H13N2O	136 C8H10NO	120 C8H10N
574 C27H36N5O7S
425 C22H25N4O5	C5H11NO2S
397 C21H25N4O4	C6H11NO3S	CO
297 C14H21N2O3S	C13H15N3O4
278 C13H16N3O4	C14H20N2O3S	C9H9NO	C8H9N
221 C11H13N2O3	C16H23N3O4S	C11H12N2O2	C10H12N2O	C3H8S	C2H3NO
177 C10H13N2O	C17H23N3O6S	C12H12N2O4	C11H12N2O3	C4H8O2S	C3H3NO3	CO2
136 C8H10NO	C19H26N4O6S	C14H15N3O4	C13H15N3O3	C6H11NO2S	C5H6N2O3	C3H3NO2	C2H3N
120 C8H10N	C19H26N4O7S	C14H15N3O5	C13H15N3O4	C6H11NO3S	C5H6N2O4	C3H3NO3	C2H3NO	O

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