MassBank:KOX00454p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Methionine sulfoximine

IDs and Links
MassBank	Methionine sulfoximine
CAS
Keio ID	M114+

Top 10 Similar Molecules of Methionine sulfoximine

Ranking	About scoring
KOX00729p Score:14.78 KOX00702p Score:14.78 KOX00593p Score:14.78 KOX00268p Score:14.78 KOX00254p Score:14.78 KOX00406p Score:10.98 KOX00167p Score:10.98 KOX00051p Score:10.98 KOX00905p Score:10.82 KOX00778p Score:10.82	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
C5H13N2O3S (181)	C5H10NO3S (164)	e
C5H13N2O3S (181)	C5H11N2O2S (163)	d
C5H13N2O3S (181)	C4H8NO2 (102)	a
C5H13N2O3S (181)	C2H4NO2 (74)	c

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。

KOX00454p	181 C5H13N2O3S	164 C5H10NO3S	163 C5H11N2O2S	102 C4H8NO2	84 C4H6NO	74 C2H4NO2	63 CH3OS	56 C3H6N
181 C5H13N2O3S
164 C5H10NO3S	H3N
163 C5H11N2O2S	H2O
102 C4H8NO2	CH5NOS	CH2OS	CH3NS
84 C4H6NO	CH7NO2S	CH4O2S	CH5NOS	H2O
74 C2H4NO2	C3H9NOS	C3H6OS	C3H7NS	C2H4
63 CH3OS	C4H10N2O2	C4H7NO2	C4H8N2O
56 C3H6N	C2H7NO3S	C2H4O3S	C2H5NO2S	CH2O2	CO

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