MassBank:KOX00526p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Puromycin

IDs and Links
MassBank	Puromycin
CAS	53-79-2
Keio ID	P075+

Top 10 Similar Molecules of Puromycin

Ranking	About scoring
KOX00420p Score:14.36 KOX00004p Score:13.25 KOX00799p Score:11.39 KOX00876p Score:11.25 KOX00780p Score:11.25 KOX00721p Score:11.25 KOX00443p Score:11.25 KOX00427p Score:11.25 KOX00111p Score:11.25 KOX00588p Score:11.05	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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Annotations

Precursor	Product	Comments
C22H30N7O5 (472)	C15H21N2O5 (309)	b
C22H30N7O5 (472)	C7H10N5 (164)	a
C22H30N7O5 (472)	C9H12NO (150)	c
C22H30N7O5 (472)	C8H9O (121)	f
C15H21N2O5 (309)	C15H18NO5 (292)	IT
C15H21N2O5 (309)	C6H10NO4 (160)	IT
C15H21N2O5 (309)	C9H12NO (150)	IT
C15H21N2O5 (309)	C8H9O (121)	IT
C9H12NO (150)	C8H9O (121)	IT
C9H12NO (150)	C8H8N (118)	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。

KOX00526p	472 C22H30N7O5	309 C15H21N2O5	292 C15H18NO5	164 C7H10N5	160 C6H10NO4	150 C9H12NO	121 C8H9O	119 C5H11O3	118 C8H8N	97 C5H5O2	94 C4H4N3	81 C4H5N2	69 C4H5O	54 C3H4N
472 C22H30N7O5
309 C15H21N2O5	C7H9N5
292 C15H18NO5	C7H12N6	H3N
164 C7H10N5	C15H20N2O5
160 C6H10NO4	C16H20N6O	C9H11NO	C9H8O
150 C9H12NO	C13H18N6O4	C6H9NO4	C6H6O4
121 C8H9O	C14H21N7O4	C7H12N2O4	C7H9NO4			CH3N
119 C5H11O3	C17H19N7O2	C10H10N2O2	C10H7NO2
118 C8H8N	C14H22N6O5	C7H13NO5	C7H10O5			CH4O
97 C5H5O2	C17H25N7O3	C10H16N2O3	C10H13NO3		CH5NO2			H6O
94 C4H4N3	C18H26N4O5			C3H6N2
81 C4H5N2	C18H25N5O5	C11H16O5		C3H5N3
69 C4H5O	C18H25N7O4	C11H16N2O4	C11H13NO4		C2H5NO3	C5H7N	C4H4	CH6O2		CO
54 C3H4N	C19H26N6O5	C12H17NO5	C12H14O5	C4H6N4	C3H6O4	C6H8O			C5H4		CN2	CHN

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