Ojima: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
L006+ Score:69.02 B010+ Score:12.17 A145+ Score:10.38 H112+ Score:5.94 M022+ Score:4.44 D030+ Score:4.44 T061+ Score:4.44 T024+ Score:4.44 S040+ Score:4.44 P054+ Score:4.44	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 C20H39N6O4:   L006+   Pages Related to Peak C20H37N6O3:   L006+   Pages Related to Peak C14H25N2O3:   L006+   Pages Related to Peak C12H21N4O:   L006+   Pages Related to Peak C11H22N3O:   L006+   Pages Related to Peak C11H19N2O:   L006+   Pages Related to Peak C10H19N2:   L006+   Pages Related to Peak C6H13N4:   L006+  B010+  H112+   Pages Related to Peak C7H14NO:   A145+  L006+   Pages Related to Peak C5H11N2:   L006+  B010+   Pages Related to Peak C5H12N:   A053+  A145+  B018+  E015+  G071+  I008+  L003+  L006+  L007+  N014+  P032+  P122+  T112+  A060+  B040+  C032+  C044+  G069+  L034+  L057+  P034+  P074+  P192+   Pages Related to Peak C5H8N:   A135+  A140+  H064+  P067+  A069+  A080+  A197+  C043+  H045+  M024+  N016+  P054+  S040+  T024+  T061+  D030+  M022+

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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。

KOX00396p	427 C20H39N6O4	409 C20H37N6O3	367 C18H35N6O2	269 C14H25N2O3	237 C12H21N4O	212 C11H22N3O	195 C11H19N2O	167 C10H19N2	141 C6H13N4	128 C7H14NO	99 C5H11N2	86 C5H12N	82 C5H8N
427 C20H39N6O4
409 C20H37N6O3	H2O
367 C18H35N6O2	C2H4O2	C2H2O
269 C14H25N2O3	C6H14N4O	C6H12N4
237 C12H21N4O	C8H18N2O3	C8H16N2O2	C6H14N2O
212 C11H22N3O	C9H17N3O3	C9H15N3O2	C7H13N3O
195 C11H19N2O	C9H20N4O3	C9H18N4O2	C7H16N4O	C3H6O2	CH2N2	H3N
167 C10H19N2	C10H20N4O4	C10H18N4O3	C8H16N4O2	C4H6O3	C2H2N2O	CH3NO	CO
141 C6H13N4	C14H26N2O4	C14H24N2O3	C12H22N2O2		C6H8O
128 C7H14NO	C13H25N5O3	C13H23N5O2	C11H21N5O	C7H11NO2	C5H7N3	C4H8N2	C4H5N
99 C5H11N2	C15H28N4O4	C15H26N4O3	C13H24N4O2	C9H14O3	C7H10N2O	C6H11NO	C6H8O	C5H8	CH2N2
86 C5H12N	C15H27N5O4	C15H25N5O3	C13H23N5O2	C9H13NO3	C7H9N3O	C6H10N2O	C6H7NO	C5H7N	CHN3	C2H2O
82 C5H8N	C15H31N5O4	C15H29N5O3	C13H27N5O2	C9H17NO3	C7H13N3O	C6H14N2O	C6H11NO	C5H11N	CH5N3	C2H6O	H3N	H4

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