MassBank:KOX00396p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Leupeptin hemisulfate

IDs and Links
MassBank	Leupeptin hemisulfate
CAS	24365-47-7
Keio ID	L006+

Top 10 Similar Molecules of Leupeptin hemisulfate

Ranking	About scoring
KOX00672p Score:12.86 KOX00090p Score:10.83 KOX00233p Score:8.69 KOX00754p Score:6.23 KOX00911p Score:4.49 KOX00848p Score:4.49 KOX00793p Score:4.49 KOX00791p Score:4.49 KOX00750p Score:4.49 KOX00676p Score:4.49	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 C6H13N4:   KOX00672p  KOX00754p   Pages Related to Peak C7H14NO:   KOX00090p   Pages Related to Peak C5H11N2:   KOX00672p   Pages Related to Peak C5H9N2:   KOX00024p  KOX00086p  KOX00138p  KOX00229p  KOX00233p  KOX00308p  KOX00478p  KOX00552p  KOX00648p  KOX00653p  KOX00676p  KOX00750p  KOX00791p  KOX00793p  KOX00848p  KOX00911p   Pages Related to Peak C5H12N:   KOX00043p  KOX00090p  KOX00122p  KOX00233p  KOX00295p  KOX00364p  KOX00391p  KOX00398p  KOX00469p  KOX00499p  KOX00539p  KOX00616p  KOX00644p  KOX00679p  KOX00685p  KOX00688p  KOX00741p  KOX00771p  KOX00773p  KOX00822p  KOX00838p  KOX00856p

Annotations

Precursor	Product	Comments
C20H39N6O4 (427)	C20H37N6O3 (409)	-H2O
C20H39N6O4 (427)	C14H25N2O3 (269)	c
C20H39N6O4 (427)	C7H14NO (128)	b

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。

KOX00396p	427 C20H39N6O4	409 C20H37N6O3	269 C14H25N2O3	237 C12H21N4O	212 C11H22N3O	195 C11H19N2O	167 C10H19N2	141 C6H13N4	128 C7H14NO	99 C5H11N2	97 C5H9N2	86 C5H12N
427 C20H39N6O4
409 C20H37N6O3	H2O
269 C14H25N2O3	C6H14N4O	C6H12N4
237 C12H21N4O	C8H18N2O3	C8H16N2O2
212 C11H22N3O	C9H17N3O3	C9H15N3O2
195 C11H19N2O	C9H20N4O3	C9H18N4O2	C3H6O2	CH2N2	H3N
167 C10H19N2	C10H20N4O4	C10H18N4O3	C4H6O3	C2H2N2O	CH3NO	CO
141 C6H13N4	C14H26N2O4	C14H24N2O3		C6H8O
128 C7H14NO	C13H25N5O3	C13H23N5O2	C7H11NO2	C5H7N3	C4H8N2	C4H5N
99 C5H11N2	C15H28N4O4	C15H26N4O3	C9H14O3	C7H10N2O	C6H11NO	C6H8O	C5H8	CH2N2
97 C5H9N2	C15H30N4O4	C15H28N4O3	C9H16O3	C7H12N2O	C6H13NO	C6H10O	C5H10	CH4N2		H2
86 C5H12N	C15H27N5O4	C15H25N5O3	C9H13NO3	C7H9N3O	C6H10N2O	C6H7NO	C5H7N	CHN3	C2H2O

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