MassBank:KOX00512p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Propylthiouracil

IDs and Links
MassBank	Propylthiouracil
CAS	51-52-5
Keio ID	P055+

Top 10 Similar Molecules of Propylthiouracil

Ranking	About scoring
KOX00024p Score:9.55 KOX00769p Score:9.2 KOX00687p Score:9.2 KOX00290p Score:8.86 KOX00698p Score:7.35 KOX00830p Score:7.31 KOX00736p Score:7.31 KOX00126p Score:7 KOX00868p Score:5.72 KOX00859p Score:5.38	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
C7H11N2OS (171)	C7H8NOS (154)	-NH3
C7H11N2OS (171)	C6H10NO (112)	c,-NH3
C7H11N2OS (171)	C6H7O (95)	e
C7H11N2OS (171)	C2NOS (86)	b
C7H11N2OS (171)	C4H8N (70)	f
C7H11N2OS (171)	C5H7 (67)	a
C7H11N2OS (171)	CH2NS (60)	d[g]

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。

KOX00512p	171 C7H11N2OS	154 C7H8NOS	112 C6H10NO	95 C6H7O	86 C2NOS	70 C4H8N	67 C5H7	60 CH2NS	54 C3H4N
171 C7H11N2OS
154 C7H8NOS	H3N
112 C6H10NO	CHNS
95 C6H7O	CH4N2S	CHNS	H3N
86 C2NOS	C5H11N	C5H8
70 C4H8N	C3H3NOS	C3OS	C2H2O
67 C5H7	C2H4N2OS	C2HNOS	CH3NO	CO
60 CH2NS	C6H9NO	C6H6O
54 C3H4N	C4H7NOS	C4H4OS	C3H6O			CH4

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