MassBank:KOX00858p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pentamidine

IDs and Links
MassBank	Pentamidine
CAS
Keio ID	P209+

Top 10 Similar Molecules of Pentamidine

Ranking	About scoring
KOX00881p Score:6.63 KOX00831p Score:6.23 KOX00788p Score:6.23 KOX00886p Score:4.69 KOX00855p Score:4.69 KOX00854p Score:4.69 KOX00840p Score:4.69 KOX00766p Score:4.69 KOX00748p Score:4.69 KOX00673p Score:4.69	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 C8H9N2O:   KOX00881p   Pages Related to Peak C7H9N2O:   KOX00788p  KOX00831p   Pages Related to Peak C7H6NO:   KOX00006p  KOX00034p  KOX00131p  KOX00371p  KOX00385p  KOX00628p  KOX00673p  KOX00748p  KOX00766p  KOX00840p  KOX00854p  KOX00855p  KOX00886p   Pages Related to Peak C5H9:   KOX00043p  KOX00083p  KOX00090p  KOX00233p  KOX00251p  KOX00254p  KOX00295p  KOX00364p  KOX00391p  KOX00469p  KOX00518p  KOX00558p  KOX00616p  KOX00645p  KOX00682p  KOX00685p  KOX00719p  KOX00762p  KOX00773p  KOX00822p  KOX00857p  KOX00889p  KOX00903p

Annotations

Precursor	Product	Comments
C19H25N4O2 (341)	C19H22N3O2 (324)	a
C19H25N4O2 (341)	C12H17N2O (205)	c
C19H25N4O2 (341)	C9H11N2O (163)	h
C19H25N4O2 (341)	C8H9N2O (149)	d
C19H25N4O2 (341)	C7H9N2O (137)	b
C19H22N3O2 (324)	C19H19N2O2 (307)	IT
C19H22N3O2 (324)	C12H17N2O (205)	IT
C19H22N3O2 (324)	C12H14NO (188)	IT
C19H22N3O2 (324)	C7H9N2O (137)	IT
C19H22N3O2 (324)	C7H6NO (120)	IT
C12H14NO (188)	C7H6NO (120)	IT
C12H14NO (188)	C5H9 (69)	IT

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。

KOX00858p	341 C19H25N4O2	324 C19H22N3O2	307 C19H19N2O2	205 C12H17N2O	188 C12H14NO	163 C9H11N2O	149 C8H9N2O	137 C7H9N2O	120 C7H6NO	69 C5H9
341 C19H25N4O2
324 C19H22N3O2	H3N
307 C19H19N2O2	H6N2	H3N
205 C12H17N2O	C7H8N2O	C7H5NO	C7H2O
188 C12H14NO	C7H11N3O	C7H8N2O	C7H5NO	H3N
163 C9H11N2O	C10H14N2O	C10H11NO	C10H8O	C3H6
149 C8H9N2O	C11H16N2O	C11H13NO	C11H10O	C4H8		CH2
137 C7H9N2O	C12H16N2O	C12H13NO	C12H10O	C5H8		C2H2	C
120 C7H6NO	C12H19N3O	C12H16N2O	C12H13NO	C5H11N	C5H8	C2H5N	CH3N	H3N
69 C5H9	C14H16N4O2	C14H13N3O2	C14H10N2O2	C7H8N2O	C7H5NO	C4H2N2O	C3N2O	C2N2O

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