Ojima:COX00026p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Dihydroergotamine

IDs and Links
MassBank	Dihydroergotamine
CAS
Keio ID

Top 10 Similar Molecules of Dihydroergotamine

Ranking	About scoring
M142+ Score:5.94 I025+ Score:5.94 C040+ Score:5.94	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 C12H10N:   C040+  I025+  M142+

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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。

COX00026p	584 C33H38N5O5	566 C33H36N5O4	270 C16H20N3O	253 C16H17N2O	225 C15H17N2	168 C12H10N
584 C33H38N5O5
566 C33H36N5O4	H2O
270 C16H20N3O	C17H18N2O4	C17H16N2O3
253 C16H17N2O	C17H21N3O4	C17H19N3O3	H3N
225 C15H17N2	C18H21N3O5	C18H19N3O4	CH3NO	CO
168 C12H10N	C21H28N4O5	C21H26N4O4	C4H10N2O	C4H7NO	C3H7N

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