MassBank:KOX00133p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Bumetanide

IDs and Links
MassBank	Bumetanide
CAS
Keio ID	B093+

Top 10 Similar Molecules of Bumetanide

Ranking	About scoring
KOX00325p Score:6.63 KOX00238p Score:6.63 KOX00863p Score:5.72 KOX00736p Score:5.72 KOX00577p Score:5.72 KOX00107p Score:5.72	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 C13H12NO:   KOX00325p   Pages Related to Peak C11H10N:   KOX00238p   Pages Related to Peak C6H6NO:   KOX00107p  KOX00577p  KOX00736p  KOX00863p

Annotations

Precursor	Product	Comments
C17H21N2O5S (365)	C17H18NO5S (348)	f
C17H21N2O5S (365)	C13H10NO5S (292)	c,-NH3
C17H21N2O5S (365)	C17H18NO3 (284)	b
C17H18NO5S (348)	C13H10NO5S (292)	IT
C17H18NO3 (284)	C17H16NO2 (266)	IT
C17H18NO3 (284)	C16H18NO (240)	IT
C16H18NO (240)	C13H12NO (198)	IT
C16H18NO (240)	C12H10NO (184)	IT
C12H10NO (184)	C11H10N (156)	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。

KOX00133p	365 C17H21N2O5S	348 C17H18NO5S	292 C13H10NO5S	284 C17H18NO3	266 C17H16NO2	240 C16H18NO	198 C13H12NO	196 C13H10NO	184 C12H10NO	156 C11H10N	108 C6H6NO
365 C17H21N2O5S
348 C17H18NO5S	H3N
292 C13H10NO5S	C4H11N	C4H8
284 C17H18NO3	H3NO2S	O2S
266 C17H16NO2	H5NO3S	H2O3S		H2O
240 C16H18NO	CH3NO4S	CO4S		CO2
198 C13H12NO	C4H9NO4S	C4H6O4S		C4H6O2	C4H4O	C3H6
196 C13H10NO	C4H11NO4S	C4H8O4S	O4S	C4H8O2	C4H6O	C3H8	H2
184 C12H10NO	C5H11NO4S	C5H8O4S	CO4S	C5H8O2	C5H6O	C4H8	CH2	C
156 C11H10N	C6H11NO5S	C6H8O5S	C2O5S	C6H8O3	C6H6O2	C5H8O	C2H2O	C2O	CO
108 C6H6NO	C11H15NO4S	C11H12O4S	C7H4O4S	C11H12O2	C11H10O	C10H12	C7H6	C7H4	C6H4

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