Ojima:KOX00806p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Methysergide

IDs and Links
MassBank	Methysergide
CAS	361-37-5
Keio ID	M156+

Top 10 Similar Molecules of Methysergide

Ranking	About scoring
M156+ Score:72.61 M089+ Score:6.23	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 C21H28N3O2:   M156+   Pages Related to Peak C20H23N2O2:   M156+   Pages Related to Peak C19H23N2O2:   M156+   Pages Related to Peak C19H21N2O:   M156+   Pages Related to Peak C17H17N2O:   M156+   Pages Related to Peak C16H17N2:   M156+   Pages Related to Peak C15H12NO:   M156+   Pages Related to Peak C15H13N2:   M156+   Pages Related to Peak C14H15N2:   M156+   Pages Related to Peak C14H9NO:   M156+   Pages Related to Peak C14H12N:   M089+  M156+

Annotations

Precursor	Product	Comments
C19H23N2O2 (311)	C17H17N2O* (265)	ITinc
C16H17N2 (237)	C15H13N2* (221)	ITinc

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。

KOX00806p	354 C21H28N3O2	339 C20H25N3O2	323 C20H23N2O2	311 C19H23N2O2	293 C19H21N2O	283 C17H19N2O2	265 C17H17N2O	237 C16H17N2	222 C15H12NO	221 C15H13N2	211 C14H15N2	207 C14H9NO	194 C14H12N
354 C21H28N3O2
339 C20H25N3O2	CH3
323 C20H23N2O2	CH5N	H2N
311 C19H23N2O2	C2H5N	CH2N	C
293 C19H21N2O	C2H7NO	CH4NO	CH2O	H2O
283 C17H19N2O2	C4H9N	C3H6N	C3H4	C2H4
265 C17H17N2O	C4H11NO	C3H8NO	C3H6O	C2H6O	C2H4	H2O
237 C16H17N2	C5H11NO2	C4H8NO2	C4H6O2	C3H6O2	C3H4O	CH2O2	CO
222 C15H12NO	C6H16N2O	C5H13N2O	C5H11NO	C4H11NO	C4H9N	C2H7NO	C2H5N
221 C15H13N2	C6H15NO2	C5H12NO2	C5H10O2	C4H10O2	C4H8O	C2H6O2	C2H4O	CH4
211 C14H15N2	C7H13NO2	C6H10NO2	C6H8O2	C5H8O2	C5H6O	C3H4O2	C3H2O	C2H2
207 C14H9NO	C7H19N2O	C6H16N2O	C6H14NO	C5H14NO	C5H12N	C3H10NO	C3H8N		CH3
194 C14H12N	C7H16N2O2	C6H13N2O2	C6H11NO2	C5H11NO2	C5H9NO	C3H7NO2	C3H5NO	C2H5N	CO	CHN	H3N

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