MassBank:KOX00636p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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S-Adenosylmethionine

IDs and Links
MassBank	S-Adenosylmethionine
CAS	29908-03-0
Keio ID	A020+

Top 10 Similar Molecules of S-Adenosylmethionine

Ranking	About scoring
KOX00707p Score:17.27 KOX00004p Score:17.27 KOX00406p Score:12.96 KOX00254p Score:12.96 KOX00051p Score:12.96 KOX00905p Score:7.02 KOX00778p Score:7.02 KOX00743p Score:7.02 KOX00733p Score:7.02 KOX00729p Score:7.02	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
C15H23N6O5S (399)	C11H16N5O3S (298)	c
C15H23N6O5S (399)	C10H18NO5S (264)	g
C15H23N6O5S (399)	C10H12N5O3 (250)	d
C15H23N6O5S (399)	C5H12NO2S (150)	f
C15H23N6O5S (399)	C5H6N5 (136)	e
C15H23N6O5S (399)	C4H8NO2 (102)	b
C10H12N5O3 (250)	C5H6N5 (136)	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。

KOX00636p	399 C15H23N6O5S	298 C11H16N5O3S	264 C10H18NO5S	250 C10H12N5O3	150 C5H12NO2S	136 C5H6N5	102 C4H8NO2	97 C5H5O2	56 C3H6N
399 C15H23N6O5S
298 C11H16N5O3S	C4H7NO2
264 C10H18NO5S	C5H5N5
250 C10H12N5O3	C5H11NO2S	CH4S
150 C5H12NO2S	C10H11N5O3	C6H4N4O	C5H6O3
136 C5H6N5	C10H17NO5S	C6H10O3S		C5H6O3
102 C4H8NO2	C11H15N5O3S	C7H8N4OS	C6H10O3S	C6H4N4O	CH4S
97 C5H5O2	C10H18N6O3S	C6H11N5OS	C5H13NO3S	C5H7N5O	H7NS
56 C3H6N	C12H17N5O5S	C8H10N4O3S	C7H12O5S	C7H6N4O3	C2H6O2S	C2N4	CH2O2

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