Ojima:COX00036p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ergoloid_Mesylate

IDs and Links
MassBank	Ergoloid_Mesylate
CAS
Keio ID

Top 10 Similar Molecules of Ergoloid_Mesylate

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。

COX00036p	592 C33H46N5O5	574 C33H44N5O4	350 C21H24N3O2	305 C17H25N2O3	270 C16H20N3O	253 C16H17N2O	225 C15H17N2	168 C12H10N
592 C33H46N5O5
574 C33H44N5O4	H2O
350 C21H24N3O2	C12H22N2O3	C12H20N2O2
305 C17H25N2O3	C16H21N3O2	C16H19N3O
270 C16H20N3O	C17H26N2O4	C17H24N2O3	C5H4O
253 C16H17N2O	C17H29N3O4	C17H27N3O3	C5H7NO	CH8O2	H3N
225 C15H17N2	C18H29N3O5	C18H27N3O4	C6H7NO2	C2H8O3	CH3NO	CO
168 C12H10N	C21H36N4O5	C21H34N4O4	C9H14N2O2	C5H15NO3	C4H10N2O	C4H7NO	C3H7N

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